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

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(3-pyridyl)prop-2-en-1-one Formula: C20H22N2O MolecularWeight: 306.40148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O/c23-20(18-6-5-13-21-16-18)12-9-17-7-10-19(11-8-17)22-14-3-1-2-4-15-22/h5-13,16H,1-4,14-15H2/b12-9+