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

Systemtic Name: 6-(4-chlorophenyl)-4-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one Openeye Name: 6-(4-chlorophenyl)-4-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one CAS Name: 6-(4-chlorophenyl)-4-phenyl-2-[4-(4-phenyl-1-piperazinyl)but-2-ynyl]-3-pyridazinone IUPAC Name: 6-(4-chlorophenyl)-4-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]pyridazin-3-one Traditional Name: 6-(4-chlorophenyl)-4-phenyl-2-[4-(4-phenylpiperazino)but-2-ynyl]pyridazin-3-one Formula: C30H27ClN4O MolecularWeight: 495.01458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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