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

Systemtic Name: 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-(2-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-[4-(2-chlorophenyl)piperazino]-3-keto-propyl]-2H-phthalazine-1,4-quinone Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21ClN4O3/c22-17-7-3-4-8-18(17)24-11-13-25(14-12-24)19(27)9-10-26-21(29)16-6-2-1-5-15(16)20(28)23-26/h1-8H,9-14H2,(H,23,28)