methyl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(3-methylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(3-methylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: methyl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(3-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-4-[(3-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(3-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-4-m-toluoyl-isonipecotic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2(CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2(CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C27H28N4O3/c1-20-4-3-5-23(14-20)25(32)27(26(33)34-2)10-12-30(13-11-27)18-24-16-29-19-31(24)17-22-8-6-21(15-28)7-9-22/h3-9,14,16,19H,10-13,17-18H2,1-2H3