4-(2-cyclohexylethoxy)-5-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-(2-cyclohexylethoxy)-5-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-(2-cyclohexylethoxy)-5-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-(2-cyclohexylethoxy)-5-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-(2-cyclohexylethoxy)-5-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-(2-cyclohexylethoxy)-5-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C38H42N6O2 MolecularWeight: 614.77908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)CCOC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C38H42N6O2/c45-38-37(46-26-21-30-13-5-1-6-14-30)35(27-39-44(38)34-19-11-4-12-20-34)42-24-22-41(23-25-42)28-32-29-43(33-17-9-3-10-18-33)40-36(32)31-15-7-2-8-16-31/h2-4,7-12,15-20,27,29-30H,1,5-6,13-14,21-26,28H2