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

Systemtic Name: (3R)-N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3R)-N-[(1S)-1-[(4-chlorophenyl)methyl]-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3R)-N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]cyclohexylidene]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3R)-N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3R)-N-[(1S)-1-(4-chlorobenzyl)-2-[4-[2-[(2-ketopyrrolidino)methyl]phenyl]cyclohexylidene]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C36H40ClN3O2 MolecularWeight: 582.1747

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC=C2C3CCC(=CC(CC4=CC=C(C=C4)Cl)NC(=O)C5CC6=CC=CC=C6CN5)CC3

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC=C2C3CCC(=C[C@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@H]5CC6=CC=CC=C6CN5)CC3

InChI

InChI=1S/C36H40ClN3O2/c37-31-17-13-26(14-18-31)21-32(39-36(42)34-22-28-6-1-2-7-29(28)23-38-34)20-25-11-15-27(16-12-25)33-9-4-3-8-30(33)24-40-19-5-10-35(40)41/h1-4,6-9,13-14,17-18,20,27,32,34,38H,5,10-12,15-16,19,21-24H2,(H,39,42)/t27?,32-,34-/m1/s1