1-[[5-(2-methoxy-5-nitro-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane

Systemtic Name: 1-[[5-(2-methoxy-5-nitro-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Openeye Name: 1-[[5-(2-methoxy-5-nitro-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane CAS Name: 1-[[5-(2-methoxy-5-nitrophenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane IUPAC Name: 1-[[5-(2-methoxy-5-nitrophenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane Traditional Name: 1-[[5-(2-methoxy-5-nitro-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-30-24-14-12-20(27(28)29)16-21(24)22-13-11-19(25-22)17-26-15-7-3-6-10-23(26)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16,23,25H,3,6-7,10,15,17H2,1H3