N-(1,3-benzodioxol-5-yl)-1-[(4-chloranyl-2-methoxy-phenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-chloranyl-2-methoxy-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-methoxy-anilino)isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-chloro-2-methoxy-anilino)isoquinoline-4-carboxamide Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18ClN3O4/c1-30-21-10-14(25)6-8-19(21)28-23-17-5-3-2-4-16(17)18(12-26-23)24(29)27-15-7-9-20-22(11-15)32-13-31-20/h2-12H,13H2,1H3,(H,26,28)(H,27,29)