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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N(C)C2CCCN(C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N(C)[C@H]2CCCN(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-23-16-19(15-22-23)10-11-21(26)24(2)20-9-6-13-25(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15-16,20H,6,9,12-14,17H2,1-2H3/b11-10+/t20-/m0/s1