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

Systemtic Name: 3-methyl-1-oxidanylidene-2-(phenylmethyl)-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-benzyl-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-methyl-1-oxo-2-(phenylmethyl)-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-benzyl-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-benzyl-1-keto-3-methyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C27H26N2O2 MolecularWeight: 410.50754

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2O2/c1-3-24(21-14-8-5-9-15-21)28-26(30)25-19(2)29(18-20-12-6-4-7-13-20)27(31)23-17-11-10-16-22(23)25/h4-17,24H,3,18H2,1-2H3,(H,28,30)/t24-/m0/s1