(E)-1-[(2S)-2-methylpiperidin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[(2S)-2-methylpiperidin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[(2S)-2-methyl-1-piperidyl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[(2S)-2-methyl-1-piperidinyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[(2S)-2-methylpiperidin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-methylpiperidino]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C18H21N3O MolecularWeight: 295.37884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c1-15-7-5-6-12-20(15)18(22)11-10-16-13-19-21(14-16)17-8-3-2-4-9-17/h2-4,8-11,13-15H,5-7,12H2,1H3/b11-10+/t15-/m0/s1