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

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H24N4O4/c1-18(11-12-19-13-14-23-24(15-19)35-17-34-23)28-29-26(32)25-21-9-5-6-10-22(21)27(33)31(30-25)16-20-7-3-2-4-8-20/h2-10,13-15H,11-12,16-17H2,1H3,(H,29,32)/b28-18+