5-(3,4-dimethoxy-5-phenylmethoxy-phenyl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(3,4-dimethoxy-5-phenylmethoxy-phenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(3-benzyloxy-4,5-dimethoxy-phenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(3,4-dimethoxy-5-phenylmethoxyphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(3,4-dimethoxy-5-phenylmethoxyphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(3-benzoxy-4,5-dimethoxy-phenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N3O3/c1-29-22-16-20(17-23(25(22)30-2)31-18-19-8-4-3-5-9-19)21-11-14-28(15-13-26-21)24-10-6-7-12-27-24/h3-10,12,16-17,21,26H,11,13-15,18H2,1-2H3