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

Systemtic Name: 7-chloranyl-3-methyl-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 7-chloro-3-methyl-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 7-chloro-3-methyl-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 7-chloro-3-methyl-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 7-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(=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2/c1-3-23(18-10-6-4-7-11-18)28-25(30)24-17(2)29(20-12-8-5-9-13-20)26(31)22-16-19(27)14-15-21(22)24/h4-16,23H,3H2,1-2H3,(H,28,30)/t23-/m0/s1