tert-butyl 7-[(4-azidophenyl)carbonylamino]-5-iodanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(4-azidophenyl)carbonylamino]-5-iodanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(4-azidobenzoyl)amino]-5-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[(4-azidophenyl)-oxomethyl]amino]-5-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(4-azidobenzoyl)amino]-5-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(4-azidobenzoyl)amino]-5-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H22IN5O3 MolecularWeight: 519.33555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C=C(C=C2C1)NC(=O)C3=CC=C(C=C3)N=[N+]=[N-])I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C=C(C=C2C1)NC(=O)C3=CC=C(C=C3)N=[N+]=[N-])I

InChI

InChI=1S/C21H22IN5O3/c1-21(2,3)30-20(29)27-9-8-17-14(12-27)10-16(11-18(17)22)24-19(28)13-4-6-15(7-5-13)25-26-23/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)