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

Systemtic Name: 1-(4-nitrophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-isopropyl-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-nitrophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-nitrophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-isopropyl-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-11(2)15-14-5-3-4-10-17-16(14)19(18-15)12-6-8-13(9-7-12)20(21)22/h6-9,11,18H,3-5,10H2,1-2H3