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

Systemtic Name: 5-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(4-tert-butylbenzoyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4O2/c1-25(2,3)19-11-9-18(10-12-19)23(31)29-15-13-28(14-16-29)21-17-27-30(24(32)22(21)26)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3