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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-20-26-23(19-31-20)17-27-12-5-13-28(15-14-27)25(29)16-21-8-10-24(11-9-21)30-18-22-6-3-2-4-7-22/h2-4,6-11,19H,5,12-18H2,1H3