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

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3,5-dimethylphenyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3,5-dimethylphenyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3,5-dimethylphenyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3,5-dimethylphenyl)-1-(4-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=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-14-11-15(2)13-16(12-14)20-19-5-3-4-10-22-21(19)24(23-20)17-6-8-18(9-7-17)25(26)27/h6-9,11-13,23H,3-5,10H2,1-2H3