methyl 8-azanyl-7-iodanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: methyl 8-azanyl-7-iodanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: methyl 8-amino-7-iodo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 8-amino-7-iodo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 8-amino-7-iodo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 8-amino-7-iodo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid methyl ester Formula: C12H15IN2O2 MolecularWeight: 346.16417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=CC(=C(C=C2CC1)I)N

Isomeric SMILES

COC(=O)N1CCC2=CC(=C(C=C2CC1)I)N

InChI

InChI=1S/C12H15IN2O2/c1-17-12(16)15-4-2-8-6-10(13)11(14)7-9(8)3-5-15/h6-7H,2-5,14H2,1H3