4,6-diphenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one

Systemtic Name: 4,6-diphenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one Openeye Name: 4,6-diphenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one CAS Name: 4,6-diphenyl-2-[4-(4-phenyl-1-piperazinyl)but-2-ynyl]-3-pyridazinone IUPAC Name: 4,6-diphenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one Traditional Name: 4,6-diphenyl-2-[4-(4-phenylpiperazino)but-2-ynyl]pyridazin-3-one Formula: C30H28N4O MolecularWeight: 460.56952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC#CCN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O/c35-30-28(25-12-4-1-5-13-25)24-29(26-14-6-2-7-15-26)31-34(30)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17,24H,18-23H2