1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2-methoxy-5-nitro-phenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2-methoxy-5-nitro-phenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2-methoxy-5-nitro-phenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2-methoxy-5-nitro-phenyl)isoquinoline-4-carboxamide Formula: C24H19ClN4O4 MolecularWeight: 462.88506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C24H19ClN4O4/c1-14-7-8-15(11-20(14)25)27-23-18-6-4-3-5-17(18)19(13-26-23)24(30)28-21-12-16(29(31)32)9-10-22(21)33-2/h3-13H,1-2H3,(H,26,27)(H,28,30)