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

Systemtic Name: 1-(4-iodophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-iodophenyl)-3-isopropyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-iodophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-iodophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-iodophenyl)-3-isopropyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H20IN3 MolecularWeight: 381.25457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20IN3/c1-11(2)15-14-5-3-4-10-18-16(14)20(19-15)13-8-6-12(17)7-9-13/h6-9,11,19H,3-5,10H2,1-2H3