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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c1-15-6-5-11-20(13-15)18(22)10-9-16-12-19-21(14-16)17-7-3-2-4-8-17/h2-4,7-10,12,14-15H,5-6,11,13H2,1H3/b10-9+/t15-/m0/s1