4-chloranyl-2-phenyl-5-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-5-[4-(2-isopropylquinoline-4-carbonyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[oxo-(2-propan-2-yl-4-quinolinyl)methyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-isopropylquinoline-4-carbonyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C27H26ClN5O2 MolecularWeight: 487.98064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H26ClN5O2/c1-18(2)23-16-21(20-10-6-7-11-22(20)30-23)26(34)32-14-12-31(13-15-32)24-17-29-33(27(35)25(24)28)19-8-4-3-5-9-19/h3-11,16-18H,12-15H2,1-2H3