methyl 1-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-16-19(17(2)25(24-16)18-10-6-4-7-11-18)12-13-20(26)23-22(21(27)28-3)14-8-5-9-15-22/h4,6-7,10-13H,5,8-9,14-15H2,1-3H3,(H,23,26)/b13-12+