8-(4-aminophenyl)-5-oxidanylidene-N-pentyl-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide

Systemtic Name: 8-(4-aminophenyl)-5-oxidanylidene-N-pentyl-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide Openeye Name: 8-(4-aminophenyl)-5-oxo-N-pentyl-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide CAS Name: 8-(4-aminophenyl)-5-oxo-N-pentyl-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide IUPAC Name: 8-(4-aminophenyl)-5-oxo-N-pentyl-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide Traditional Name: 8-(4-aminophenyl)-N-amyl-5-keto-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N1C(=O)C2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)N)OCO3

Isomeric SMILES

CCCCCNC(=O)N1C(=O)C2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)N)OCO3

InChI

InChI=1S/C21H22N4O4/c1-2-3-4-9-23-21(27)25-20(26)16-11-18-17(28-12-29-18)10-15(16)19(24-25)13-5-7-14(22)8-6-13/h5-8,10-11H,2-4,9,12,22H2,1H3,(H,23,27)