[4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H30N4O5 MolecularWeight: 514.5723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4CCCCC4)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4CCCCC4)OC)/C#N

InChI

InChI=1S/C29H30N4O5/c1-19-26(28(35)33(32(19)2)23-12-8-5-9-13-23)31-27(34)22(18-30)16-20-14-15-24(25(17-20)37-3)38-29(36)21-10-6-4-7-11-21/h5,8-9,12-17,21H,4,6-7,10-11H2,1-3H3,(H,31,34)/b22-16+