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

Systemtic Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]ethanone Formula: C25H28N2O3 MolecularWeight: 404.50142

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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=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C25H28N2O3/c28-25(27-14-5-13-26(15-16-27)19-24-8-4-17-29-24)18-21-9-11-23(12-10-21)30-20-22-6-2-1-3-7-22/h1-4,6-12,17H,5,13-16,18-20H2