(E)-1-(azepan-1-yl)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C17H20ClNO3/c18-14-11-13(12-15-17(14)22-10-9-21-15)5-6-16(20)19-7-3-1-2-4-8-19/h5-6,11-12H,1-4,7-10H2/b6-5+