3-cyclobutyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-cyclobutyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-cyclobutyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclobutyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclobutyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-cyclobutyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3[N+](=O)[O-])C4CCC4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3[N+](=O)[O-])C4CCC4)C1

InChI

InChI=1S/C17H20N4O2/c22-21(23)15-10-2-1-9-14(15)20-17-13(8-3-4-11-18-17)16(19-20)12-6-5-7-12/h1-2,9-10,12,19H,3-8,11H2