2-azanyl-3-(3,3-dimethylbutanoyl)-6-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-azanyl-3-(3,3-dimethylbutanoyl)-6-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(isobutylamino)propoxy]benzonitrile hydrochloride CAS Name: 2-amino-3-(3,3-dimethyl-1-oxobutyl)-6-[2-hydroxy-3-(2-methylpropylamino)propoxy]benzonitrile hydrochloride IUPAC Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(2-methylpropylamino)propoxy]benzonitrile hydrochloride Traditional Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(isobutylamino)propoxy]benzonitrile hydrochloride Formula: C20H32ClN3O3 MolecularWeight: 397.93938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(COC1=C(C(=C(C=C1)C(=O)CC(C)(C)C)N)C#N)O.Cl

Isomeric SMILES

CC(C)CNCC(COC1=C(C(=C(C=C1)C(=O)CC(C)(C)C)N)C#N)O.Cl

InChI

InChI=1S/C20H31N3O3.ClH/c1-13(2)10-23-11-14(24)12-26-18-7-6-15(19(22)16(18)9-21)17(25)8-20(3,4)5;/h6-7,13-14,23-24H,8,10-12,22H2,1-5H3;1H