methyl 7-bromanyl-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-bromanyl-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-bromo-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-bromo-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-bromo-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CCCCN1CCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C16H20BrNO2/c1-3-4-8-18-9-7-12(16(19)20-2)10-13-11-14(17)5-6-15(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3