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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-tetrahydrofuran-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-methyl-5-nitrophenyl)-3-(2-oxolanyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-(tetrahydrofuryl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4CCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4CCCO4

InChI

InChI=1S/C18H22N4O3/c1-12-7-8-13(22(23)24)11-15(12)21-18-14(5-2-3-9-19-18)17(20-21)16-6-4-10-25-16/h7-8,11,16,20H,2-6,9-10H2,1H3