ethyl 1-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl]isonipecotic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-3-28-21(27)18-9-11-24(12-10-18)16-20(26)23(2)14-17-13-22-25(15-17)19-7-5-4-6-8-19/h4-8,13,15,18H,3,9-12,14,16H2,1-2H3