methyl 6-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[1-(3-cyanobenzyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC1C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1CC=CCC1C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)18-8-3-2-7-17(18)19(25)23-16-11-22-24(13-16)12-15-6-4-5-14(9-15)10-21/h2-6,9,11,13,17-18H,7-8,12H2,1H3,(H,23,25)