4-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-cyanophenyl)-N-(2-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-cyanophenyl)-N-(2-thenyl)-1,4-diazepane-1-carboxamide Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CS2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CS2)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H20N4OS/c19-13-15-5-1-2-7-17(15)21-8-4-9-22(11-10-21)18(23)20-14-16-6-3-12-24-16/h1-3,5-7,12H,4,8-11,14H2,(H,20,23)