2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phthalazin-1-one

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phthalazin-1-one Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phthalazin-1-one CAS Name: 2-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-1-phthalazinone IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phthalazin-1-one Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazino]butyl]phthalazin-1-one Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O/c23-19-7-5-8-20(16-19)26-14-12-25(13-15-26)10-3-4-11-27-22(28)21-9-2-1-6-18(21)17-24-27/h1-2,5-9,16-17H,3-4,10-15H2