ZRY
(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
Created: | 2021-05-28 |
Last modified: | 2024-11-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine |
Systematic Name (OpenEye OEToolkits) | (3~{Z})-3-(phenylhydrazinylidene)isoindol-1-amine |
Formula | C14 H12 N4 |
Molecular Weight | 236.272 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | NC1=N/C(=N\Nc2ccccc2)c2ccccc12 |
SMILES | CACTVS | 3.385 | NC1=NC(=NNc2ccccc2)c3ccccc13 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)NN=C2c3ccccc3C(=N2)N |
Canonical SMILES | CACTVS | 3.385 | NC1=NC(=N/Nc2ccccc2)\c3ccccc13 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)N/N=C\2/c3ccccc3C(=N2)N |
InChI | InChI | 1.06 | InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18) |
InChIKey | InChI | 1.06 | XBVFGEHZRVLBOS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 19154470, 73540002, 95363877 |