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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isoquinoline-4-carboxamide Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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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)NCC4COC5=CC=CC=C5O4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4COC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C26H22ClN3O3/c1-16-10-11-17(12-22(16)27)30-25-20-7-3-2-6-19(20)21(14-28-25)26(31)29-13-18-15-32-23-8-4-5-9-24(23)33-18/h2-12,14,18H,13,15H2,1H3,(H,28,30)(H,29,31)