N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-2-(2-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-1-keto-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O6/c1-33-21-9-5-4-8-20(21)29-14-19(17-6-2-3-7-18(17)26(29)32)25(31)27-13-24(30)28-16-10-11-22-23(12-16)35-15-34-22/h2-12,14H,13,15H2,1H3,(H,27,31)(H,28,30)