tert-butyl 4-[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31ClN4O3 MolecularWeight: 410.93814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)Cl)CC(C)C

InChI

InChI=1S/C20H31ClN4O3/c1-14(2)13-25-18(21)16(15(3)22-25)7-8-17(26)23-9-11-24(12-10-23)19(27)28-20(4,5)6/h7-8,14H,9-13H2,1-6H3/b8-7+