4-chloranyl-5-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[4-(2-ethoxyphenoxy)-1-oxobutyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C26H29ClN4O4 MolecularWeight: 496.98586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H29ClN4O4/c1-2-34-22-11-6-7-12-23(22)35-18-8-13-24(32)30-16-14-29(15-17-30)21-19-28-31(26(33)25(21)27)20-9-4-3-5-10-20/h3-7,9-12,19H,2,8,13-18H2,1H3