(2R)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-2-[4-(1-azepanyl)anilino]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N4O4/c1-16(22(27)24-20-15-19(26(28)29)11-12-21(20)30-2)23-17-7-9-18(10-8-17)25-13-5-3-4-6-14-25/h7-12,15-16,23H,3-6,13-14H2,1-2H3,(H,24,27)/t16-/m1/s1