4-[3-(4-methyl-1,4-diazepan-1-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(4-methyl-1,4-diazepan-1-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]benzonitrile Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CN1CCCN(CC1)CC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H23N3O2/c1-18-7-2-8-19(10-9-18)12-15(20)13-21-16-5-3-14(11-17)4-6-16/h3-6,15,20H,2,7-10,12-13H2,1H3