N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N4O4/c1-3-12-27-23(29)18-7-5-4-6-17(18)21(26-27)22(28)25-24-15(2)8-9-16-10-11-19-20(13-16)31-14-30-19/h4-7,10-11,13H,3,8-9,12,14H2,1-2H3,(H,25,28)/b24-15+