(E)-3-(4-methoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-methoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-26-21-11-8-19(9-12-21)10-13-22(25)24-15-5-14-23(16-17-24)18-20-6-3-2-4-7-20/h2-4,6-13H,5,14-18H2,1H3/b13-10+