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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2-iodanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3,4-dimethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22IN3 MolecularWeight: 443.32395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4I)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4I)C

InChI

InChI=1S/C21H22IN3/c1-14-10-11-16(13-15(14)2)25-21-18(8-5-6-12-23-21)20(24-25)17-7-3-4-9-19(17)22/h3-4,7,9-11,13,24H,5-6,8,12H2,1-2H3