N-butyl-2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-phenyl-benzimidazole-5-carboxamide

Systemtic Name: N-butyl-2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-phenyl-benzimidazole-5-carboxamide Openeye Name: N-butyl-2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-phenyl-benzimidazole-5-carboxamide CAS Name: N-butyl-2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-phenyl-5-benzimidazolecarboxamide IUPAC Name: N-butyl-2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-phenylbenzimidazole-5-carboxamide Traditional Name: 2-(4-amidinobenzyl)-N-butyl-1-methyl-N-phenyl-benzimidazole-5-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H29N5O/c1-3-4-16-32(22-8-6-5-7-9-22)27(33)21-14-15-24-23(18-21)30-25(31(24)2)17-19-10-12-20(13-11-19)26(28)29/h5-15,18H,3-4,16-17H2,1-2H3,(H3,28,29)