[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H25N3O3/c1-15(19(24)22-17-7-4-2-3-5-8-17)26-20(25)16-9-11-18(12-10-16)23-14-6-13-21-23/h6,9-15,17H,2-5,7-8H2,1H3,(H,22,24)/t15-/m0/s1