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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2-methoxy-5-methyl-phenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2-methoxy-5-methyl-phenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-methylphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-methylphenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2-methoxy-5-methyl-phenyl)isoquinoline-4-carboxamide Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C25H22ClN3O2/c1-15-8-11-23(31-3)22(12-15)29-25(30)20-14-27-24(19-7-5-4-6-18(19)20)28-17-10-9-16(2)21(26)13-17/h4-14H,1-3H3,(H,27,28)(H,29,30)