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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-methyl-5-nitrophenyl)-3-(1-methyl-4-piperidinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4CCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCCCC3=C(N2)C4CCN(CC4)C

InChI

InChI=1S/C20H27N5O2/c1-14-6-7-16(25(26)27)13-18(14)24-20-17(5-3-4-10-21-20)19(22-24)15-8-11-23(2)12-9-15/h6-7,13,15,22H,3-5,8-12H2,1-2H3