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

Systemtic Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(2-methoxyphenyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H24N4O4/c1-30-19-9-5-4-8-18(19)24-12-14-25(15-13-24)20(27)10-11-26-22(29)17-7-3-2-6-16(17)21(28)23-26/h2-9H,10-15H2,1H3,(H,23,28)