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

Systemtic Name: 2-(4-phenylmethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-phenylmethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-phenylmethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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