[1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H25N3O3/c1-15(19(24)22(2)17-7-4-3-5-8-17)26-20(25)16-9-11-18(12-10-16)23-14-6-13-21-23/h6,9-15,17H,3-5,7-8H2,1-2H3