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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-methyl-5-nitrophenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O2/c1-3-6-15-14-7-4-5-10-18-17(14)20(19-15)16-11-13(21(22)23)9-8-12(16)2/h8-9,11,19H,3-7,10H2,1-2H3