N-(2-azanyl-2-oxidanylidene-ethyl)-3-[[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-[[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-[[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide CAS Name: N-(2-amino-2-oxoethyl)-3-[[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-[[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-[[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]benzamide Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O3/c1-14-18(21(23)28(27-14)17-8-3-2-4-9-17)10-11-20(30)26-16-7-5-6-15(12-16)22(31)25-13-19(24)29/h2-12H,13H2,1H3,(H2,24,29)(H,25,31)(H,26,30)/b11-10+