(3S)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-1-piperidyl]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]-1-piperidinyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-[(1R)-1-(4-chlorobenzyl)-2-[4-[2-[(2-ketopyrrolidino)methyl]phenyl]piperidino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C35H41ClN4O2 MolecularWeight: 585.17864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC=C2C3CCN(CC3)CC(CC4=CC=C(C=C4)Cl)NC(=O)C5CC6=CC=CC=C6CN5

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC=C2C3CCN(CC3)C[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H]5CC6=CC=CC=C6CN5

InChI

InChI=1S/C35H41ClN4O2/c36-30-13-11-25(12-14-30)20-31(38-35(42)33-21-27-6-1-2-7-28(27)22-37-33)24-39-18-15-26(16-19-39)32-9-4-3-8-29(32)23-40-17-5-10-34(40)41/h1-4,6-9,11-14,26,31,33,37H,5,10,15-24H2,(H,38,42)/t31-,33+/m1/s1