methyl (E)-3-[2-cyclohexyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-cyclohexyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoate Openeye Name: methyl (E)-3-[2-cyclohexyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoate CAS Name: (E)-3-[2-cyclohexyl-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-pyrazol-5-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-cyclohexyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoate Traditional Name: (E)-3-[1-cyclohexyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-3-pyrazolin-3-yl]acrylic acid methyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C(=C2C=CC(=O)C=C2)N(N1)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C1=C(C(=C2C=CC(=O)C=C2)N(N1)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c1-30-23(29)17-16-22-24(18-8-4-2-5-9-18)25(19-12-14-21(28)15-13-19)27(26-22)20-10-6-3-7-11-20/h2,4-5,8-9,12-17,20,26H,3,6-7,10-11H2,1H3/b17-16+