1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(3-chlorophenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(3-chlorophenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide Formula: C23H17Cl2N3O MolecularWeight: 422.30658

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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=CC(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C23H17Cl2N3O/c1-14-9-10-17(12-21(14)25)27-22-19-8-3-2-7-18(19)20(13-26-22)23(29)28-16-6-4-5-15(24)11-16/h2-13H,1H3,(H,26,27)(H,28,29)