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

Systemtic Name: 2-(4-phenylmethoxyphenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-phenylmethoxyphenyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-phenylmethoxyphenyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C25H28N2O2S/c28-25(27-13-4-12-26(14-15-27)18-23-11-16-30-20-23)17-21-7-9-24(10-8-21)29-19-22-5-2-1-3-6-22/h1-3,5-11,16,20H,4,12-15,17-19H2