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

Systemtic Name: 3-(3-iodanylphenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-iodophenyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-iodophenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-iodophenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-iodophenyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20IN3 MolecularWeight: 429.29737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3/c1-14-6-4-9-17(12-14)24-20-18(10-2-3-11-22-20)19(23-24)15-7-5-8-16(21)13-15/h4-9,12-13,23H,2-3,10-11H2,1H3