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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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