1-(4-bromophenyl)-2-[(2-methoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[(2-methoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone Openeye Name: 1-(4-bromophenyl)-2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone CAS Name: 1-(4-bromophenyl)-2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone Traditional Name: 1-(4-bromophenyl)-2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)C2=CC=C(C=C2)Br)C3=NCCCCC3

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)C2=CC=C(C=C2)Br)C3=NCCCCC3

InChI

InChI=1S/C21H23BrN2O2/c1-26-20-8-5-4-7-18(20)24(21-9-3-2-6-14-23-21)15-19(25)16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3