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

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-4,6-diphenyl-pyridazin-3-one Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-4,6-diphenyl-pyridazin-3-one CAS Name: 2-[4-[4-(3-chlorophenyl)-1-piperazinyl]but-2-ynyl]-4,6-diphenyl-3-pyridazinone IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-ynyl]-4,6-diphenylpyridazin-3-one Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazino]but-2-ynyl]-4,6-diphenyl-pyridazin-3-one Formula: C30H27ClN4O MolecularWeight: 495.01458

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H27ClN4O/c31-26-14-9-15-27(22-26)34-20-18-33(19-21-34)16-7-8-17-35-30(36)28(24-10-3-1-4-11-24)23-29(32-35)25-12-5-2-6-13-25/h1-6,9-15,22-23H,16-21H2