3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(furan-2-yl)propanenitrile

Systemtic Name: 3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(furan-2-yl)propanenitrile Openeye Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(2-furyl)propanenitrile CAS Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(2-furanyl)propanenitrile IUPAC Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(furan-2-yl)propanenitrile Traditional Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(2-furyl)propionitrile Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C(CC#N)C2=CC=CO2)N

Isomeric SMILES

C1CCC(=NC(C1)C(CC#N)C2=CC=CO2)N

InChI

InChI=1S/C13H17N3O/c14-8-7-10(12-5-3-9-17-12)11-4-1-2-6-13(15)16-11/h3,5,9-11H,1-2,4,6-7H2,(H2,15,16)