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

Systemtic Name: 3-[(4-cyano-4-phenyl-piperidin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-cyano-4-phenyl-1-piperidyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[(4-cyano-4-phenyl-1-piperidinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[(4-cyano-4-phenyl-piperidino)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C38H36N4O2 MolecularWeight: 580.71804

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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)(C#N)C6=CC=CC=C6

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)(C#N)C6=CC=CC=C6

InChI

InChI=1S/C38H36N4O2/c1-2-33(28-14-6-3-7-15-28)40-36(43)35-31-20-12-13-21-32(31)37(44)42(30-18-10-5-11-19-30)34(35)26-41-24-22-38(27-39,23-25-41)29-16-8-4-9-17-29/h3-21,33H,2,22-26H2,1H3,(H,40,43)/t33-/m0/s1