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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

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