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

Systemtic Name: (E)-1-(azepan-1-yl)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H18ClNO3/c17-13-9-12(10-14-16(13)21-11-20-14)5-6-15(19)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8,11H2/b6-5+