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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C25H22ClN3O2/c1-3-31-23-11-7-6-10-22(23)29-25(30)20-15-27-24(19-9-5-4-8-18(19)20)28-17-13-12-16(2)21(26)14-17/h4-15H,3H2,1-2H3,(H,27,28)(H,29,30)