3-(4-nitrophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 3-(4-nitrophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-isopropyl-3-(4-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 3-(4-nitrophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 3-(4-nitrophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-isopropyl-3-(4-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O2/c1-11(2)19-16(12-3-5-13(6-4-12)20(21)22)14-7-9-17-10-8-15(14)18-19/h3-6,11,17H,7-10H2,1-2H3