2-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-(4-ethoxyphenyl)pyridazin-3-one

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-(4-ethoxyphenyl)pyridazin-3-one Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]-6-(4-ethoxyphenyl)pyridazin-3-one CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]-6-(4-ethoxyphenyl)-3-pyridazinone IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzhydrylpiperazino)-4-keto-butyl]-6-p-phenetyl-pyridazin-3-one Formula: C33H36N4O3 MolecularWeight: 536.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O3/c1-2-40-29-17-15-26(16-18-29)30-19-20-32(39)37(34-30)21-9-14-31(38)35-22-24-36(25-23-35)33(27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-20,33H,2,9,14,21-25H2,1H3