8VI

N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide

Created: 2016-05-16
Last modified:  2016-07-06

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count66
Aromatic Bond Count12
2D diagram of 8VI
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Chemical Component Summary

NameN-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide
Systematic Name (OpenEye OEToolkits)N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide
FormulaC24 H31 N5 O3
Molecular Weight437.535
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCN(C(=O)c1ccccc1OC)c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[CH]4C
SMILESOpenEye OEToolkits1.7.6CCN(c1cc2c(cc1N3CCNCC3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC
Canonical SMILESCACTVS3.385 CCN(C(=O)c1ccccc1OC)c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[C@H]4C
Canonical SMILESOpenEye OEToolkits1.7.6 CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC
InChIInChI1.03 InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
InChIKeyInChI1.03 WFXIHQFRQPGCCR-MRXNPFEDSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3827932
PubChem 121232406
ChEMBL CHEMBL3827932