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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-ethylpropyl)-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-methyl-5-nitrophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-ethylpropyl)-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-4-14(5-2)18-16-8-6-7-11-20-19(16)22(21-18)17-12-15(23(24)25)10-9-13(17)3/h9-10,12,14,21H,4-8,11H2,1-3H3