2-(aminomethyl)-N-[4-[[2-(6-azanylhexoxy)-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-(aminomethyl)-N-[4-[[2-(6-azanylhexoxy)-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-1H-benzimidazole-4-carboxamide Openeye Name: N-[4-[[2-(6-aminohexoxy)-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-2-(aminomethyl)-1H-benzimidazole-4-carboxamide CAS Name: N-[4-[[2-(6-aminohexoxy)-N,4-dimethylanilino]-oxomethyl]-2-methoxyphenyl]-2-(aminomethyl)-1H-benzimidazole-4-carboxamide IUPAC Name: N-[4-[[2-(6-aminohexoxy)-4-methylphenyl]-methylcarbamoyl]-2-methoxyphenyl]-2-(aminomethyl)-1H-benzimidazole-4-carboxamide Traditional Name: N-[4-[[2-(6-aminohexoxy)-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-2-(aminomethyl)-1H-benzimidazole-4-carboxamide Formula: C31H38N6O4 MolecularWeight: 558.67122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CN)OC)OCCCCCCN

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CN)OC)OCCCCCCN

InChI

InChI=1S/C31H38N6O4/c1-20-11-14-25(27(17-20)41-16-7-5-4-6-15-32)37(2)31(39)21-12-13-23(26(18-21)40-3)35-30(38)22-9-8-10-24-29(22)36-28(19-33)34-24/h8-14,17-18H,4-7,15-16,19,32-33H2,1-3H3,(H,34,36)(H,35,38)