3-butyl-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-butyl-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H24N4O2 MolecularWeight: 328.40876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N4O2/c1-3-4-8-16-15-7-5-6-11-19-18(15)21(20-16)17-12-14(22(23)24)10-9-13(17)2/h9-10,12,20H,3-8,11H2,1-2H3