(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 4-bromanylbenzoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 4-bromanylbenzoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C13H15BrN2O2 MolecularWeight: 311.1744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN2O2/c14-11-7-5-10(6-8-11)13(17)18-16-12-4-2-1-3-9-15-12/h5-8H,1-4,9H2,(H,15,16)