(5-methyl-4-nitro-thiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methyl-4-nitro-thiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: (5-methyl-4-nitro-2-thiophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-methyl-4-nitro-2-thienyl)methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-14-16(21(23)24)12-17(25-14)18(22)20-9-5-8-19(10-11-20)13-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13H2,1H3