3-(3,5-dimethylphenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3,5-dimethylphenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3,5-dimethylphenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3,5-dimethylphenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3,5-dimethylphenyl)-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O2/c1-14-11-15(2)13-16(12-14)20-17-7-5-6-10-22-21(17)24(23-20)18-8-3-4-9-19(18)25(26)27/h3-4,8-9,11-13,23H,5-7,10H2,1-2H3