N-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-(3-chloroanilino)-3-oxo-propyl]-2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-(3-chloroanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-(3-chloroanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-(3-chloroanilino)-3-keto-propyl]-1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxamide Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H22ClN3O4/c1-34-20-9-5-8-19(15-20)30-16-23(21-10-2-3-11-22(21)26(30)33)25(32)28-13-12-24(31)29-18-7-4-6-17(27)14-18/h2-11,14-16H,12-13H2,1H3,(H,28,32)(H,29,31)