2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-phenyl-phthalazine-1,4-dione

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-phenyl-phthalazine-1,4-dione Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-phenyl-phthalazine-1,4-dione CAS Name: 2-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-3-phenylphthalazine-1,4-dione IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-phenylphthalazine-1,4-dione Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazino]butyl]-3-phenyl-phthalazine-1,4-quinone Formula: C28H29ClN4O2 MolecularWeight: 489.00846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H29ClN4O2/c29-22-9-8-12-24(21-22)31-19-17-30(18-20-31)15-6-7-16-32-27(34)25-13-4-5-14-26(25)28(35)33(32)23-10-2-1-3-11-23/h1-5,8-14,21H,6-7,15-20H2