(E)-3-(1-methylpyrazol-4-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C18H24N4O/c1-20-11-6-8-16(20)17-7-4-3-5-12-22(17)18(23)10-9-15-13-19-21(2)14-15/h6,8-11,13-14,17H,3-5,7,12H2,1-2H3/b10-9+