1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3,6-dione hydrate hydrochloride

Systemtic Name: 1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3,6-dione hydrate hydrochloride Openeye Name: 1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3,6-dione hydrate hydrochloride CAS Name: 1-phenyl-2-[3-(4-phenyl-1-piperazinyl)propyl]pyridazine-3,6-dione hydrate hydrochloride IUPAC Name: 1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3,6-dione hydrate hydrochloride Traditional Name: 1-phenyl-2-[3-(4-phenylpiperazino)propyl]pyridazine-3,6-quinone hydrate hydrochloride Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=CC=CC=C4.O.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C23H26N4O2.ClH.H2O/c28-22-12-13-23(29)27(21-10-5-2-6-11-21)26(22)15-7-14-24-16-18-25(19-17-24)20-8-3-1-4-9-20;;/h1-6,8-13H,7,14-19H2;1H;1H2