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

Systemtic Name: N-[(4-ethylphenyl)methyl]-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-2-[[4-(1-oxopropylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-2-[[4-(propanoylamino)phenyl]methyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(4-ethylbenzyl)-2-(4-propionamidobenzyl)-3H-benzimidazole-5-carboxamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)NC(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)NC(=O)CC

InChI

InChI=1S/C27H28N4O2/c1-3-18-5-7-20(8-6-18)17-28-27(33)21-11-14-23-24(16-21)31-25(30-23)15-19-9-12-22(13-10-19)29-26(32)4-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)