N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4/c1-3-4-11-26-22(28)17-8-6-5-7-16(17)20(25-26)21(27)24-23-14(2)15-9-10-18-19(12-15)30-13-29-18/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27)/b23-14+