N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide CAS Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-[(4-methylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide Traditional Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-p-toluoyl-nipecotamide Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)C(C#N)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)C(C#N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O2/c1-19-9-11-21(12-10-19)28(34)32-15-5-8-22(18-32)27(33)31-23-13-14-24(26(29)16-23)25(17-30)20-6-3-2-4-7-20/h2-4,6-7,9-14,16,22,25H,5,8,15,18H2,1H3,(H,31,33)