[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 1-benzyl-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-phenyl-pyrazole-4-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c28-22(25-20-13-7-8-14-20)17-30-24(29)21-16-27(15-18-9-3-1-4-10-18)26-23(21)19-11-5-2-6-12-19/h1-6,9-12,16,20H,7-8,13-15,17H2,(H,25,28)