2-[[4-[5-[2-(4-methoxyphenyl)ethoxy]-6-oxidanylidene-1-phenyl-pyridazin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[5-[2-(4-methoxyphenyl)ethoxy]-6-oxidanylidene-1-phenyl-pyridazin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[5-[2-(4-methoxyphenyl)ethoxy]-6-oxo-1-phenyl-pyridazin-4-yl]piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[5-[2-(4-methoxyphenyl)ethoxy]-6-oxo-1-phenyl-4-pyridazinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[5-[2-(4-methoxyphenyl)ethoxy]-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[6-keto-5-[2-(4-methoxyphenyl)ethoxy]-1-phenyl-pyridazin-4-yl]piperazino]methyl]benzonitrile Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCOC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5C#N

InChI

InChI=1S/C31H31N5O3/c1-38-28-13-11-24(12-14-28)15-20-39-30-29(22-33-36(31(30)37)27-9-3-2-4-10-27)35-18-16-34(17-19-35)23-26-8-6-5-7-25(26)21-32/h2-14,22H,15-20,23H2,1H3