tert-butyl 7-iodanyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indole-10a-carboxylate

Systemtic Name: tert-butyl 7-iodanyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indole-10a-carboxylate Openeye Name: tert-butyl 7-iodo-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indole-10a-carboxylate CAS Name: 7-iodo-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indole-10a-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-iodo-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indole-10a-carboxylate Traditional Name: 7-iodo-2,3,4,10-tetrahydro-1H-pyrazin[1,2-a]indole-10a-carboxylic acid tert-butyl ester Formula: C16H21IN2O2 MolecularWeight: 400.25461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C12CC3=C(N1CCNC2)C=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)C12CC3=C(N1CCNC2)C=C(C=C3)I

InChI

InChI=1S/C16H21IN2O2/c1-15(2,3)21-14(20)16-9-11-4-5-12(17)8-13(11)19(16)7-6-18-10-16/h4-5,8,18H,6-7,9-10H2,1-3H3