2-(4-phenylmethoxyphenyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-phenylmethoxyphenyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-phenylmethoxyphenyl)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-phenylmethoxyphenyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C24H27N3O2S/c28-24(27-13-4-12-26(14-15-27)18-23-25-11-16-30-23)17-20-7-9-22(10-8-20)29-19-21-5-2-1-3-6-21/h1-3,5-11,16H,4,12-15,17-19H2