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

Systemtic Name: 2-(2-chlorophenyl)-3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-1-keto-3-methyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C26H23ClN2O2 MolecularWeight: 430.92602

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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=C4Cl)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H23ClN2O2/c1-3-22(18-11-5-4-6-12-18)28-25(30)24-17(2)29(23-16-10-9-15-21(23)27)26(31)20-14-8-7-13-19(20)24/h4-16,22H,3H2,1-2H3,(H,28,30)/t22-/m0/s1