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

Systemtic Name: 1-(4-iodophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-ethylpropyl)-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-iodophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-iodophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-ethylpropyl)-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H24IN3 MolecularWeight: 409.30773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24IN3/c1-3-13(4-2)17-16-7-5-6-12-20-18(16)22(21-17)15-10-8-14(19)9-11-15/h8-11,13,21H,3-7,12H2,1-2H3