1-[5-(2-phenylethynyl)pyridin-3-yl]-1,4-diazepane

Systemtic Name: 1-[5-(2-phenylethynyl)pyridin-3-yl]-1,4-diazepane Openeye Name: 1-[5-(2-phenylethynyl)-3-pyridyl]-1,4-diazepane CAS Name: 1-[5-(2-phenylethynyl)-3-pyridinyl]-1,4-diazepane IUPAC Name: 1-[5-(2-phenylethynyl)pyridin-3-yl]-1,4-diazepane Traditional Name: 1-[5-(2-phenylethynyl)-3-pyridyl]-1,4-diazepane Formula: C18H19N3 MolecularWeight: 277.36356

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CN=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

C1CNCCN(C1)C2=CN=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3/c1-2-5-16(6-3-1)7-8-17-13-18(15-20-14-17)21-11-4-9-19-10-12-21/h1-3,5-6,13-15,19H,4,9-12H2