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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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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)NC4=CC5=C(C=C4)OCCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5)Cl

InChI

InChI=1S/C25H20ClN3O3/c1-15-6-7-16(12-21(15)26)28-24-19-5-3-2-4-18(19)20(14-27-24)25(30)29-17-8-9-22-23(13-17)32-11-10-31-22/h2-9,12-14H,10-11H2,1H3,(H,27,28)(H,29,30)