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

Systemtic Name: 5-[4-(4-butoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(4-butoxy-3-methoxy-benzoyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(4-butoxy-3-methoxybenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(4-butoxy-3-methoxy-benzoyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C26H29ClN4O4 MolecularWeight: 496.98586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C26H29ClN4O4/c1-3-4-16-35-22-11-10-19(17-23(22)34-2)25(32)30-14-12-29(13-15-30)21-18-28-31(26(33)24(21)27)20-8-6-5-7-9-20/h5-11,17-18H,3-4,12-16H2,1-2H3