(2-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-nitrophenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-nitrophenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C17H19N3O3S/c21-17(15-6-1-2-7-16(15)20(22)23)19-9-4-8-18(10-11-19)13-14-5-3-12-24-14/h1-3,5-7,12H,4,8-11,13H2