N-(4-phenylbutan-2-yl)-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(4-phenylbutan-2-yl)-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-[[4-(1-oxopropylamino)phenyl]methyl]-N-(4-phenylbutan-2-yl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-(4-propionamidobenzyl)-3H-benzimidazole-5-carboxamide Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)C(=O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)C(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2/c1-3-27(33)30-23-14-11-21(12-15-23)17-26-31-24-16-13-22(18-25(24)32-26)28(34)29-19(2)9-10-20-7-5-4-6-8-20/h4-8,11-16,18-19H,3,9-10,17H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)