N-(3,4-dimethylphenyl)-4-[1-(phenylmethyl)benzimidazol-2-yl]piperazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)C

InChI

InChI=1S/C27H29N5O/c1-20-12-13-23(18-21(20)2)28-27(33)31-16-14-30(15-17-31)26-29-24-10-6-7-11-25(24)32(26)19-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)