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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H25N3O3/c1-14-6-3-4-7-18(14)22-19(24)15(2)26-20(25)16-8-10-17(11-9-16)23-13-5-12-21-23/h5,8-15,18H,3-4,6-7H2,1-2H3,(H,22,24)