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

Systemtic Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)C

InChI

InChI=1S/C22H24N4O3/c1-15-6-5-9-19(16(15)2)24-10-12-25(13-11-24)20(27)14-26-22(29)18-8-4-3-7-17(18)21(28)23-26/h3-9H,10-14H2,1-2H3,(H,23,28)