(2-chloranyl-4-nitro-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H18ClN3O3S MolecularWeight: 379.86112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c18-16-11-13(21(23)24)4-5-15(16)17(22)20-7-2-6-19(8-9-20)12-14-3-1-10-25-14/h1,3-5,10-11H,2,6-9,12H2