N-(3-methylphenyl)-4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(m-tolyl)piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(m-tolyl)piperazine-1-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c1-21-8-7-11-23(18-21)28-27(33)31-16-14-30(15-17-31)20-26-29-24-12-5-6-13-25(24)32(26)19-22-9-3-2-4-10-22/h2-13,18H,14-17,19-20H2,1H3,(H,28,33)