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

Systemtic Name: 2-[[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-N-cyclopropyl-benzamide Openeye Name: 2-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acryloyl]amino]-N-cyclopropyl-benzamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC=C2C(=O)NC3CC3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=CC=C2C(=O)NC3CC3)Cl)CC(C)C

InChI

InChI=1S/C21H25ClN4O2/c1-13(2)12-26-20(22)16(14(3)25-26)10-11-19(27)24-18-7-5-4-6-17(18)21(28)23-15-8-9-15/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,23,28)(H,24,27)/b11-10+