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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-nitrophenyl)-3-p-anisyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-28-18-11-5-15(6-12-18)14-20-19-4-2-3-13-22-21(19)24(23-20)16-7-9-17(10-8-16)25(26)27/h5-12,23H,2-4,13-14H2,1H3