1-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-4-(4-ethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]-4-p-phenetyl-butane-1,4-dione Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H27ClN4O4/c1-2-35-21-10-8-19(9-11-21)23(32)12-13-24(33)30-16-14-29(15-17-30)22-18-28-31(26(34)25(22)27)20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3