4-[(3-fluorophenyl)methyl]-1-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepan-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-[(E)-3-(2-thienyl)prop-2-enoyl]-1,4-diazepan-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepan-5-one Traditional Name: 4-(3-fluorobenzyl)-1-[(E)-3-(2-thienyl)acryloyl]-1,4-diazepan-5-one Formula: C19H19FN2O2S MolecularWeight: 358.429763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC(=CC=C2)F)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H19FN2O2S/c20-16-4-1-3-15(13-16)14-22-11-10-21(9-8-19(22)24)18(23)7-6-17-5-2-12-25-17/h1-7,12-13H,8-11,14H2/b7-6+