N-(5-chloranylpyridin-2-yl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carboxamide Formula: C23H18ClN3O2 MolecularWeight: 403.86092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=NC=C(C=C4)Cl)C

InChI

InChI=1S/C23H18ClN3O2/c1-14-7-9-17(11-15(14)2)27-13-20(18-5-3-4-6-19(18)23(27)29)22(28)26-21-10-8-16(24)12-25-21/h3-13H,1-2H3,(H,25,26,28)