(E)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[3-[(2S)-2-methyl-1-piperidinyl]propyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-[(2S)-2-methylpiperidino]propyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1CCCNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-18-8-5-6-14-24(18)15-7-13-22-21(26)12-11-19-16-23-25(17-19)20-9-3-2-4-10-20/h2-4,9-12,16-18H,5-8,13-15H2,1H3,(H,22,26)/b12-11+/t18-/m0/s1