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

Systemtic Name: 2-azanyl-3-(3,3-dimethylbutanoyl)-6-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile hydrochloride CAS Name: 2-amino-3-(3,3-dimethyl-1-oxobutyl)-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile hydrochloride IUPAC Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile hydrochloride Traditional Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile hydrochloride Formula: C19H30ClN3O3 MolecularWeight: 383.9128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3.ClH/c1-12(2)22-10-13(23)11-25-17-7-6-14(18(21)15(17)9-20)16(24)8-19(3,4)5;/h6-7,12-13,22-23H,8,10-11,21H2,1-5H3;1H