2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile; pentanamide; hydrochloride

Systemtic Name: 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile; pentanamide; hydrochloride Openeye Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile; pentanamide; hydrochloride CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile; pentanamide; hydrochloride IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile; pentanamide; hydrochloride Traditional Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile; valeramide; hydrochloride Formula: C18H30ClN3O3 MolecularWeight: 371.9021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N.CC(C)NCC(COC1=CC=CC=C1C#N)O.Cl

Isomeric SMILES

CCCCC(=O)N.CC(C)NCC(COC1=CC=CC=C1C#N)O.Cl

InChI

InChI=1S/C13H18N2O2.C5H11NO.ClH/c1-10(2)15-8-12(16)9-17-13-6-4-3-5-11(13)7-14;1-2-3-4-5(6)7;/h3-6,10,12,15-16H,8-9H2,1-2H3;2-4H2,1H3,(H2,6,7);1H