N-[(3-chlorophenyl)methyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2,6,7-trimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2,6,7-trimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-keto-2,6,7-trimethyl-4-phenyl-isoquinoline-3-carboxamide Formula: C26H23ClN2O2 MolecularWeight: 430.92602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(=O)NCC3=CC(=CC=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(=O)NCC3=CC(=CC=C3)Cl)C4=CC=CC=C4)C

InChI

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