3-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(4-chlorobenzoyl)piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4/c22-15-7-5-14(6-8-15)20(29)25-11-9-24(10-12-25)18(27)13-26-21(30)17-4-2-1-3-16(17)19(28)23-26/h1-8H,9-13H2,(H,23,28)