N-(4-bromophenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-bromophenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propanamide CAS Name: N-(4-bromophenyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-bromophenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-bromophenyl)-2-[4-(6-nitro-3-pyridyl)piperazino]propionamide Formula: C18H20BrN5O3 MolecularWeight: 434.2871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN5O3/c1-13(18(25)21-15-4-2-14(19)3-5-15)22-8-10-23(11-9-22)16-6-7-17(20-12-16)24(26)27/h2-7,12-13H,8-11H2,1H3,(H,21,25)