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

Systemtic Name: 8-chloranyl-3-methyl-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 8-chloro-3-methyl-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 8-chloro-3-methyl-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 8-chloro-3-methyl-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 8-chloro-1-keto-3-methyl-2-phenyl-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=C2C=CC=C3Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=C2C=CC=C3Cl)C4=CC=CC=C4)C

InChI

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