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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(3,4,5-trimethoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Formula: C26H24ClN3O4 MolecularWeight: 477.93946

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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)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)OC)Cl

InChI

InChI=1S/C26H24ClN3O4/c1-15-9-10-16(11-21(15)27)29-25-19-8-6-5-7-18(19)20(14-28-25)26(31)30-17-12-22(32-2)24(34-4)23(13-17)33-3/h5-14H,1-4H3,(H,28,29)(H,30,31)