[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C#N)/C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H22N4O3/c1-18-25(19(2)31(30-18)24-10-4-3-5-11-24)15-22(16-28)27(33)34-17-26(32)29-23-13-12-20-8-6-7-9-21(20)14-23/h3-15H,17H2,1-2H3,(H,29,32)/b22-15+