3-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 3-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-piperidino]methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C37H36ClN3O3 MolecularWeight: 606.15304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O

InChI

InChI=1S/C37H36ClN3O3/c1-2-32(26-11-5-3-6-12-26)39-35(42)34-30-15-9-10-16-31(30)36(43)41(29-13-7-4-8-14-29)33(34)25-40-23-21-37(44,22-24-40)27-17-19-28(38)20-18-27/h3-20,32,44H,2,21-25H2,1H3,(H,39,42)/t32-/m0/s1