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

Systemtic Name: methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]piperidine-3-carboxylate Openeye Name: methyl 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]piperidine-3-carboxylate CAS Name: 5-[[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]amino]-oxomethyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]piperidine-3-carboxylate Traditional Name: 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]nipecotic acid methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CNC3)C(=O)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CNC3)C(=O)OC

InChI

InChI=1S/C21H25N5O3/c1-21(18-12-24-13-25-18,8-14-3-5-15(9-22)6-4-14)26-19(27)16-7-17(11-23-10-16)20(28)29-2/h3-6,12-13,16-17,23H,7-8,10-11H2,1-2H3,(H,24,25)(H,26,27)