(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[3-(1-oxopropylamino)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[3-(propanoylamino)phenyl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(3-propionamidophenyl)acrylamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC(=CC=C2)NC(=O)CC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC(=CC=C2)NC(=O)CC)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-4-6-12-25-20(21)17(14(3)24-25)10-11-19(27)23-16-9-7-8-15(13-16)22-18(26)5-2/h7-11,13H,4-6,12H2,1-3H3,(H,22,26)(H,23,27)/b11-10+