ethyl 4-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H29N5O3/c1-5-29-21(28)25-12-10-24(11-13-25)14-19(27)22-20-16(3)23-26(17(20)4)18-8-6-15(2)7-9-18/h6-9H,5,10-14H2,1-4H3,(H,22,27)