N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: 1-(p-anisidino)-N-p-phenetyl-isoquinoline-4-carboxamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H23N3O3/c1-3-31-20-14-10-18(11-15-20)28-25(29)23-16-26-24(22-7-5-4-6-21(22)23)27-17-8-12-19(30-2)13-9-17/h4-16H,3H2,1-2H3,(H,26,27)(H,28,29)