(E)-N-[2-[(2S)-butan-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-[(2S)-butan-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-[(1S)-1-methylpropyl]phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-[(2S)-butan-2-yl]phenyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-[(2S)-butan-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-[(1S)-1-methylpropyl]phenyl]-3-(1-methylpyrazol-4-yl)acrylamide Formula: C17H21N3O MolecularWeight: 283.36814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C=CC2=CN(N=C2)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)/C=C/C2=CN(N=C2)C

InChI

InChI=1S/C17H21N3O/c1-4-13(2)15-7-5-6-8-16(15)19-17(21)10-9-14-11-18-20(3)12-14/h5-13H,4H2,1-3H3,(H,19,21)/b10-9+/t13-/m0/s1