[4-(phenylmethyl)-1,4-diazepan-1-yl]-[4-(pyridin-4-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[4-(pyridin-4-ylmethoxy)phenyl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(4-pyridylmethoxy)phenyl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[4-(pyridin-4-ylmethoxy)phenyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(pyridin-4-ylmethoxy)phenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(4-pyridylmethoxy)phenyl]methanone Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c29-25(23-7-9-24(10-8-23)30-20-22-11-13-26-14-12-22)28-16-4-15-27(17-18-28)19-21-5-2-1-3-6-21/h1-3,5-14H,4,15-20H2