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

Systemtic Name: 2-azanyl-3-(2-ethylbutanoyl)-6-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile Openeye Name: 2-amino-3-(2-ethylbutanoyl)-6-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile CAS Name: 2-amino-3-(2-ethyl-1-oxobutyl)-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile IUPAC Name: 2-amino-3-(2-ethylbutanoyl)-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile Traditional Name: 2-amino-3-(2-ethylbutanoyl)-6-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile Formula: C19H29N3O3 MolecularWeight: 347.45186

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/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