methyl 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-26-19(25)20(12-6-3-7-13-20)22-18(24)11-10-16-14-21-23(15-16)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,22,24)/b11-10+