methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-methyl-piperidine-3-carboxylate

Systemtic Name: methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-methyl-piperidine-3-carboxylate Openeye Name: methyl 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-methyl-piperidine-3-carboxylate CAS Name: 5-[[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]amino]-oxomethyl]-1-methyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-methylpiperidine-3-carboxylate Traditional Name: 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-methyl-nipecotic acid methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CN(C3)C)C(=O)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CN(C3)C)C(=O)OC

InChI

InChI=1S/C22H27N5O3/c1-22(19-11-24-14-25-19,9-15-4-6-16(10-23)7-5-15)26-20(28)17-8-18(21(29)30-3)13-27(2)12-17/h4-7,11,14,17-18H,8-9,12-13H2,1-3H3,(H,24,25)(H,26,28)