1,4-diazepan-1-yl-[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-(4-nicotinoylpiperazino)-3-nitro-phenyl]methanone Formula: C22H26N6O4 MolecularWeight: 438.47964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c29-21(26-9-2-7-23-8-10-26)17-4-5-19(20(15-17)28(31)32)25-11-13-27(14-12-25)22(30)18-3-1-6-24-16-18/h1,3-6,15-16,23H,2,7-14H2