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

Systemtic Name: 3-cyclopentyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-cyclopentyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclopentyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclopentyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-cyclopentyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H22IN3 MolecularWeight: 407.29185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)I

Isomeric SMILES

C1CCC(C1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)I

InChI

InChI=1S/C18H22IN3/c19-14-8-10-15(11-9-14)22-18-16(7-3-4-12-20-18)17(21-22)13-5-1-2-6-13/h8-11,13,21H,1-7,12H2