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

Systemtic Name: 3-[[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-N-cyclopropyl-benzamide Openeye Name: 3-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[(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(=C2)C(=O)NC3CC3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)Cl)CC(C)C

InChI

InChI=1S/C21H25ClN4O2/c1-13(2)12-26-20(22)18(14(3)25-26)9-10-19(27)23-17-6-4-5-15(11-17)21(28)24-16-7-8-16/h4-6,9-11,13,16H,7-8,12H2,1-3H3,(H,23,27)(H,24,28)/b10-9+