(E)-1-(azepan-1-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(4-benzoxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C23H27NO3 MolecularWeight: 365.46538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO3/c1-26-22-17-19(12-14-23(25)24-15-7-2-3-8-16-24)11-13-21(22)27-18-20-9-5-4-6-10-20/h4-6,9-14,17H,2-3,7-8,15-16,18H2,1H3/b14-12+