methyl 4-[[6-(4-cyanophenyl)pyridazin-3-yl]-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-cyanophenyl)pyridazin-3-yl]-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-cyanophenyl)pyridazin-3-yl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[6-(4-cyanophenyl)-3-pyridazinyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-cyanophenyl)pyridazin-3-yl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-cyanophenyl)pyridazin-3-yl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O2/c1-24(17-9-7-16(8-10-17)20(25)26-2)19-12-11-18(22-23-19)15-5-3-14(13-21)4-6-15/h3-6,11-12,16-17H,7-10H2,1-2H3