4-[[4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C25H33N3O2/c1-20(2)24-6-3-4-7-25(24)30-19-23(29)18-28-13-5-12-27(14-15-28)17-22-10-8-21(16-26)9-11-22/h3-4,6-11,20,23,29H,5,12-15,17-19H2,1-2H3