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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/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