N-[(E)-5-methylhexan-2-ylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-5-methylhexan-2-ylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-1,4-dimethylpentylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-5-methylhexan-2-ylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-5-methylhexan-2-ylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(E)-1,4-dimethylpentylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)CC/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C

InChI

InChI=1S/C23H26N4O2/c1-16(2)13-14-17(3)24-25-22(28)21-19-11-7-8-12-20(19)23(29)27(26-21)15-18-9-5-4-6-10-18/h4-12,16H,13-15H2,1-3H3,(H,25,28)/b24-17+