2-[2-[4-(1-azanyl-1-azanylidene-3-oxidanylidene-3-phenyl-propan-2-yl)phenyl]ethyl]-N-(4-benzamidopiperidin-1-yl)-1-methyl-benzimidazole-5-carboxamide

Systemtic Name: 2-[2-[4-(1-azanyl-1-azanylidene-3-oxidanylidene-3-phenyl-propan-2-yl)phenyl]ethyl]-N-(4-benzamidopiperidin-1-yl)-1-methyl-benzimidazole-5-carboxamide Openeye Name: 2-[2-[4-(2-amino-1-benzoyl-2-imino-ethyl)phenyl]ethyl]-N-(4-benzamido-1-piperidyl)-1-methyl-benzimidazole-5-carboxamide CAS Name: 2-[2-[4-(1-amino-1-imino-3-oxo-3-phenylpropan-2-yl)phenyl]ethyl]-N-(4-benzamido-1-piperidinyl)-1-methyl-5-benzimidazolecarboxamide IUPAC Name: 2-[2-[4-(1-amino-1-imino-3-oxo-3-phenylpropan-2-yl)phenyl]ethyl]-N-(4-benzamidopiperidin-1-yl)-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-[4-(1-amidino-2-keto-2-phenyl-ethyl)phenyl]ethyl]-N-(4-benzamidopiperidino)-1-methyl-benzimidazole-5-carboxamide Formula: C38H39N7O3 MolecularWeight: 641.76136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NN3CCC(CC3)NC(=O)C4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(C(=O)C6=CC=CC=C6)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NN3CCC(CC3)NC(=O)C4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(C(=O)C6=CC=CC=C6)C(=N)N

InChI

InChI=1S/C38H39N7O3/c1-44-32-18-17-29(38(48)43-45-22-20-30(21-23-45)41-37(47)28-10-6-3-7-11-28)24-31(32)42-33(44)19-14-25-12-15-26(16-13-25)34(36(39)40)35(46)27-8-4-2-5-9-27/h2-13,15-18,24,30,34H,14,19-23H2,1H3,(H3,39,40)(H,41,47)(H,43,48)