3-tert-butyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-tert-butyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H22IN3 MolecularWeight: 395.28115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H22IN3/c1-17(2,3)15-14-6-4-5-11-19-16(14)21(20-15)13-9-7-12(18)8-10-13/h7-10,20H,4-6,11H2,1-3H3