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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=C(C(=C(C=C1)OCC(CNC(C)C)O)C#N)N.Cl

Isomeric SMILES

CCC(CC)C(=O)C1=C(C(=C(C=C1)OCC(CNC(C)C)O)C#N)N.Cl

InChI

InChI=1S/C19H29N3O3.ClH/c1-5-13(6-2)19(24)15-7-8-17(16(9-20)18(15)21)25-11-14(23)10-22-12(3)4;/h7-8,12-14,22-23H,5-6,10-11,21H2,1-4H3;1H