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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(4-phenoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Formula: C29H22ClN3O2 MolecularWeight: 479.95688

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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)OC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H22ClN3O2/c1-19-11-12-21(17-27(19)30)32-28-25-10-6-5-9-24(25)26(18-31-28)29(34)33-20-13-15-23(16-14-20)35-22-7-3-2-4-8-22/h2-18H,1H3,(H,31,32)(H,33,34)