5-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(3,5-diisopropoxy-4-methoxy-phenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(3,5-diisopropoxy-4-methoxy-phenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1OC)OC(C)C)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1OC)OC(C)C)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C23H33N3O3/c1-16(2)28-20-14-18(15-21(23(20)27-5)29-17(3)4)19-9-12-26(13-11-24-19)22-8-6-7-10-25-22/h6-8,10,14-17,19,24H,9,11-13H2,1-5H3