(3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-phenyl-nipecotamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22(26-14-12-18-7-4-5-8-19(18)16-26)17-25-13-6-9-20(15-25)23(28)24-21-10-2-1-3-11-21/h1-5,7-8,10-11,20H,6,9,12-17H2,(H,24,28)/t20-/m0/s1