N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H21N3O4/c1-30-18-9-6-16(7-10-18)27-24-20-5-3-2-4-19(20)21(15-26-24)25(29)28-17-8-11-22-23(14-17)32-13-12-31-22/h2-11,14-15H,12-13H2,1H3,(H,26,27)(H,28,29)