(E)-1-(1,4-diazepan-1-yl)-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-1-yl)-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-1-yl)-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-1-yl)-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-(1,4-diazepan-1-yl)-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-1-yl)-3-(3-pyridyl)prop-2-en-1-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C=CC2=CN=CC=C2

Isomeric SMILES

C1CNCCN(C1)C(=O)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C13H17N3O/c17-13(16-9-2-7-14-8-10-16)5-4-12-3-1-6-15-11-12/h1,3-6,11,14H,2,7-10H2/b5-4+