N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-1-o-toluoyl-isonipecotamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C25H28N4O2/c1-19-4-2-3-5-23(19)25(31)29-13-10-22(11-14-29)24(30)27-16-20-6-8-21(9-7-20)17-28-15-12-26-18-28/h2-9,12,15,18,22H,10-11,13-14,16-17H2,1H3,(H,27,30)