7-bromanyl-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide

Systemtic Name: 7-bromanyl-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide Openeye Name: 7-bromo-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide CAS Name: 7-bromo-N-(4-butylphenyl)-1-benzoxepin-4-carboxamide IUPAC Name: 7-bromo-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide Traditional Name: 7-bromo-N-(4-butylphenyl)-1-benzoxepin-4-carboxamide Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

InChI

InChI=1S/C21H20BrNO2/c1-2-3-4-15-5-8-19(9-6-15)23-21(24)16-11-12-25-20-10-7-18(22)14-17(20)13-16/h5-14H,2-4H2,1H3,(H,23,24)