N-(1,3-benzodioxol-5-yl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide Formula: C24H18ClN3O3 MolecularWeight: 431.87102

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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)OCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C24H18ClN3O3/c1-14-6-7-15(10-20(14)25)27-23-18-5-3-2-4-17(18)19(12-26-23)24(29)28-16-8-9-21-22(11-16)31-13-30-21/h2-12H,13H2,1H3,(H,26,27)(H,28,29)