1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-20-16-23(26-31-20)18-27-12-5-13-28(15-14-27)25(29)17-21-8-10-24(11-9-21)30-19-22-6-3-2-4-7-22/h2-4,6-11,16H,5,12-15,17-19H2,1H3