N-[4-(azepan-1-yl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C24H31N5O3 MolecularWeight: 437.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O3/c30-24(25-20-5-7-21(8-6-20)27-13-3-1-2-4-14-27)19-26-15-17-28(18-16-26)22-9-11-23(12-10-22)29(31)32/h5-12H,1-4,13-19H2,(H,25,30)