4-(1H-benzimidazol-2-ylmethyl)-N-(4-ethanoylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(4-ethanoylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-acetylphenyl)-4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-acetylphenyl)-4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-acetylphenyl)-4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-acetylphenyl)-4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N5O2/c1-16(28)17-7-9-18(10-8-17)23-22(29)27-12-4-11-26(13-14-27)15-21-24-19-5-2-3-6-20(19)25-21/h2-3,5-10H,4,11-15H2,1H3,(H,23,29)(H,24,25)