4-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 4-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]benzamide Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=C(C=C2)C(=O)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=C(C=C2)C(=O)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H19ClN4O2/c1-14-18(20(22)26(25-14)13-15-5-3-2-4-6-15)11-12-19(27)24-17-9-7-16(8-10-17)21(23)28/h2-12H,13H2,1H3,(H2,23,28)(H,24,27)/b12-11+