N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C25H21ClN4O2 MolecularWeight: 444.91284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O2/c1-2-22(18-12-14-19(26)15-13-18)27-28-24(31)23-20-10-6-7-11-21(20)25(32)30(29-23)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,28,31)/b27-22+