methyl 4-methyl-3-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-16-8-10-19(22(27)28-2)12-20(16)24-21(26)11-9-18-13-23-25(15-18)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,24,26)/b11-9+