methyl 1-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H28ClN3O3 MolecularWeight: 381.89692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2(CCCCC2)C(=O)OC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2(CCCCC2)C(=O)OC)Cl

InChI

InChI=1S/C19H28ClN3O3/c1-4-5-13-23-17(20)15(14(2)22-23)9-10-16(24)21-19(18(25)26-3)11-7-6-8-12-19/h9-10H,4-8,11-13H2,1-3H3,(H,21,24)/b10-9+