pyridin-3-ylmethyl N-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamate Openeye Name: 3-pyridylmethyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]carbamate CAS Name: N-[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylphenyl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamate Traditional Name: N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]carbamic acid 3-pyridylmethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-19-4-7-24(15-25(19)30-27(33)34-18-21-3-2-12-29-17-21)26(32)31-13-10-23(11-14-31)22-8-5-20(16-28)6-9-22/h2-9,12,15,17,23H,10-11,13-14,18H2,1H3,(H,30,33)