[4-(cyclopropylamino)-3-nitro-phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C20H24N4O3S/c25-20(15-4-7-18(21-16-5-6-16)19(13-15)24(26)27)23-9-2-8-22(10-11-23)14-17-3-1-12-28-17/h1,3-4,7,12-13,16,21H,2,5-6,8-11,14H2