N-butyl-2-(4-chlorophenyl)-N-methyl-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-butyl-2-(4-chlorophenyl)-N-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-butyl-2-(4-chlorophenyl)-N-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-butyl-2-(4-chlorophenyl)-N-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-butyl-2-(4-chlorophenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-butyl-2-(4-chlorophenyl)-1-keto-N-methyl-isoquinoline-4-carboxamide Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN(C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2/c1-3-4-13-23(2)20(25)19-14-24(16-11-9-15(22)10-12-16)21(26)18-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3