[8-acetyloxy-9-bromanyl-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ethanoate hydrobromide

Systemtic Name: [8-acetyloxy-9-bromanyl-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ethanoate hydrobromide Openeye Name: [8-acetoxy-9-bromo-5-(m-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] acetate hydrobromide CAS Name: acetic acid [8-acetyloxy-9-bromo-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester hydrobromide IUPAC Name: [8-acetyloxy-9-bromo-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] acetate hydrobromide Traditional Name: acetic acid [8-acetoxy-9-bromo-5-(m-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester hydrobromide Formula: C21H23Br2NO4 MolecularWeight: 513.21962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CNCCC3=C(C(=C(C=C23)OC(=O)C)OC(=O)C)Br.Br

Isomeric SMILES

CC1=CC=CC(=C1)C2CNCCC3=C(C(=C(C=C23)OC(=O)C)OC(=O)C)Br.Br

InChI

InChI=1S/C21H22BrNO4.BrH/c1-12-5-4-6-15(9-12)18-11-23-8-7-16-17(18)10-19(26-13(2)24)21(20(16)22)27-14(3)25;/h4-6,9-10,18,23H,7-8,11H2,1-3H3;1H