1-[(3-methoxy-4-phenylmethoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-29-24-18-21(11-12-23(24)30-19-20-8-3-2-4-9-20)25(22-10-5-6-14-27-22)28-16-7-13-26-15-17-28/h2-6,8-12,14,18,25-26H,7,13,15-17,19H2,1H3