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

Systemtic Name: 1-oxidanylidene-3-[[(3S)-3-oxidanylpiperidin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Openeye Name: 3-[[(3S)-3-hydroxy-1-piperidyl]methyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide CAS Name: 3-[[(3S)-3-hydroxy-1-piperidinyl]methyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)-4-isoquinolinecarboxamide IUPAC Name: 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Traditional Name: 3-[[(3S)-3-hydroxypiperidino]methyl]-1-keto-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Formula: C31H33N3O3 MolecularWeight: 495.61202

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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)CN5CCCC(C5)O

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC[C@@H](C5)O

InChI

InChI=1S/C31H33N3O3/c1-2-27(22-12-5-3-6-13-22)32-30(36)29-25-17-9-10-18-26(25)31(37)34(23-14-7-4-8-15-23)28(29)21-33-19-11-16-24(35)20-33/h3-10,12-15,17-18,24,27,35H,2,11,16,19-21H2,1H3,(H,32,36)/t24-,27?/m0/s1