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

Systemtic Name: 2-(4-phenylmethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-phenylmethoxyphenyl)-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-phenylmethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C26H29N3O2 MolecularWeight: 415.52736

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2/c30-26(29-15-5-14-28(16-17-29)20-24-8-4-13-27-19-24)18-22-9-11-25(12-10-22)31-21-23-6-2-1-3-7-23/h1-4,6-13,19H,5,14-18,20-21H2