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

Systemtic Name: 3-ethyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-ethyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-ethyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-ethyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-ethyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C15H18IN3 MolecularWeight: 367.22799

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)I

Isomeric SMILES

CCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H18IN3/c1-2-14-13-5-3-4-10-17-15(13)19(18-14)12-8-6-11(16)7-9-12/h6-9,18H,2-5,10H2,1H3