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

Systemtic Name: 1-(4-iodophenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-iodophenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-iodophenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-iodophenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-iodophenyl)-3-propyl-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:

CCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)I

Isomeric SMILES

CCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H20IN3/c1-2-5-15-14-6-3-4-11-18-16(14)20(19-15)13-9-7-12(17)8-10-13/h7-10,19H,2-6,11H2,1H3