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

Systemtic Name: 3-[(4-acetamidopiperidin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-acetamido-1-piperidyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[(4-acetamido-1-piperidinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[(4-acetamidopiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[(4-acetamidopiperidino)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C33H36N4O3 MolecularWeight: 536.66394

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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)NC(=O)C

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)NC(=O)C

InChI

InChI=1S/C33H36N4O3/c1-3-29(24-12-6-4-7-13-24)35-32(39)31-27-16-10-11-17-28(27)33(40)37(26-14-8-5-9-15-26)30(31)22-36-20-18-25(19-21-36)34-23(2)38/h4-17,25,29H,3,18-22H2,1-2H3,(H,34,38)(H,35,39)/t29-/m0/s1