[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[3-ethoxy-4-(3-pyridylmethoxy)phenyl]methanone CAS Name: [3-ethoxy-4-(3-pyridinylmethoxy)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[3-ethoxy-4-(3-pyridylmethoxy)phenyl]methanone Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-2-32-26-18-24(11-12-25(26)33-21-23-10-6-13-28-19-23)27(31)30-15-7-14-29(16-17-30)20-22-8-4-3-5-9-22/h3-6,8-13,18-19H,2,7,14-17,20-21H2,1H3