ethyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O3/c1-4-28-21(27)24-12-10-17(11-13-24)20(26)22-14-19-15(2)23-25(16(19)3)18-8-6-5-7-9-18/h5-9,17H,4,10-14H2,1-3H3,(H,22,26)