(E)-1-(azepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-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:

C1CCCN(CC1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c22-18(20-12-6-1-2-7-13-20)11-10-16-14-19-21(15-16)17-8-4-3-5-9-17/h3-5,8-11,14-15H,1-2,6-7,12-13H2/b11-10+