(E)-1-(azepan-1-yl)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one Formula: C23H24N4O MolecularWeight: 372.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c28-22(26-15-6-1-2-7-16-26)13-12-20-18-27(21-10-4-3-5-11-21)25-23(20)19-9-8-14-24-17-19/h3-5,8-14,17-18H,1-2,6-7,15-16H2/b13-12+