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

Systemtic Name: methyl 4-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-27-21(26)18-8-10-19(11-9-18)23-20(25)12-7-17-13-22-24(15-17)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,25)/b12-7+