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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H23N3O4/c1-31-18-12-10-17(11-13-18)29-25-21-7-3-2-6-20(21)22(15-27-25)26(30)28-14-19-16-32-23-8-4-5-9-24(23)33-19/h2-13,15,19H,14,16H2,1H3,(H,27,29)(H,28,30)