methyl 4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O3/c1-15-20(16(2)25(24-15)19-7-5-4-6-8-19)13-14-21(26)23-18-11-9-17(10-12-18)22(27)28-3/h4-14H,1-3H3,(H,23,26)/b14-13+