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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(3,4-dimethoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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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(=C(C=C4)OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3/c1-15-8-9-16(12-21(15)26)28-24-19-7-5-4-6-18(19)20(14-27-24)25(30)29-17-10-11-22(31-2)23(13-17)32-3/h4-14H,1-3H3,(H,27,28)(H,29,30)