2-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-1,1-diphenyl-diazane

Systemtic Name: 2-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-1,1-diphenyl-diazane Openeye Name: 2-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-1,1-diphenyl-hydrazine CAS Name: 2-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-1,1-diphenylhydrazine IUPAC Name: 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine Traditional Name: 2-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-1,1-diphenyl-hydrazine Formula: C22H24N6O2 MolecularWeight: 404.46496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NN(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NN(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)20-21(23-17-24-22(20)26-15-9-1-2-10-16-26)25-27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,24,25)