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

Systemtic Name: 3-ethyl-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-ethyl-1-(2-methyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-ethyl-1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-ethyl-1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-ethyl-1-(2-methyl-5-nitro-phenyl)-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:

CCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O2/c1-3-14-13-6-4-5-9-17-16(13)19(18-14)15-10-12(20(21)22)8-7-11(15)2/h7-8,10,18H,3-6,9H2,1-2H3