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

Systemtic Name: 2-azanyl-3-(2-ethylhexanoyl)-6-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-(2-ethylhexanoyl)-6-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile hydrochloride CAS Name: 2-amino-3-(2-ethyl-1-oxohexyl)-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile hydrochloride IUPAC Name: 2-amino-3-(2-ethylhexanoyl)-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile hydrochloride Traditional Name: 2-amino-3-(2-ethylhexanoyl)-6-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile hydrochloride Formula: C21H34ClN3O3 MolecularWeight: 411.96596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3.ClH/c1-5-7-8-15(6-2)21(26)17-9-10-19(18(11-22)20(17)23)27-13-16(25)12-24-14(3)4;/h9-10,14-16,24-25H,5-8,12-13,23H2,1-4H3;1H