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

Systemtic Name: pyridin-4-ylmethyl N-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamate Openeye Name: 4-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 pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-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 4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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