(E)-3-(4-aminophenyl)-1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-aminophenyl)-1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-aminophenyl)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one CAS Name: (E)-3-(4-aminophenyl)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-aminophenyl)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-aminophenyl)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)C=CC3=CC=C(C=C3)N)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)/C=C/C3=CC=C(C=C3)N)Br)OC1

InChI

InChI=1S/C18H16BrNO3/c19-15-11-18-17(22-8-1-9-23-18)10-14(15)16(21)7-4-12-2-5-13(20)6-3-12/h2-7,10-11H,1,8-9,20H2/b7-4+