2-(4-methoxyphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]ethanenitrile

Systemtic Name: 2-(4-methoxyphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]ethanenitrile Openeye Name: 2-(4-methoxyphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]acetonitrile CAS Name: 2-(4-methoxyphenyl)-2-[6-(4-phenyl-1-piperazinyl)-3-pyridazinyl]acetonitrile IUPAC Name: 2-(4-methoxyphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]acetonitrile Traditional Name: 2-(4-methoxyphenyl)-2-[6-(4-phenylpiperazino)pyridazin-3-yl]acetonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O/c1-29-20-9-7-18(8-10-20)21(17-24)22-11-12-23(26-25-22)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h2-12,21H,13-16H2,1H3