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

Systemtic Name: methyl 6-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[1-(1-benzotriazolylmethyl)-4-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC1C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1CC=CCC1C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N6O3/c1-28-19(27)15-7-3-2-6-14(15)18(26)21-13-10-20-24(11-13)12-25-17-9-5-4-8-16(17)22-23-25/h2-5,8-11,14-15H,6-7,12H2,1H3,(H,21,26)