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

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] 4-methylbenzoate 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] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic 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: C30H26N4O5 MolecularWeight: 522.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OC

InChI

InChI=1S/C30H26N4O5/c1-19-10-13-22(14-11-19)30(37)39-25-15-12-21(17-26(25)38-4)16-23(18-31)28(35)32-27-20(2)33(3)34(29(27)36)24-8-6-5-7-9-24/h5-17H,1-4H3,(H,32,35)/b23-16+