(phenylmethyl) N-[2-chloranyl-5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-chloranyl-5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-phenyl]carbamate Openeye Name: benzyl N-[2-chloro-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate CAS Name: N-[2-chloro-5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-chloro-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate Traditional Name: N-[2-chloro-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamic acid benzyl ester Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24ClN3O3/c28-24-11-10-23(16-25(24)30-27(33)34-18-20-4-2-1-3-5-20)26(32)31-14-12-22(13-15-31)21-8-6-19(17-29)7-9-21/h1-11,16,22H,12-15,18H2,(H,30,33)