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

Systemtic Name: 3-tert-butyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-(2-nitrophenyl)-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:

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O2/c1-17(2,3)15-12-8-6-7-11-18-16(12)20(19-15)13-9-4-5-10-14(13)21(22)23/h4-5,9-10,19H,6-8,11H2,1-3H3