2-azanyl-6-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]amino]benzenecarbonitrile

Systemtic Name: 2-azanyl-6-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]amino]benzenecarbonitrile Openeye Name: 2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]amino]-6-amino-benzonitrile CAS Name: 2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]amino]-6-aminobenzonitrile IUPAC Name: 2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]amino]-6-aminobenzonitrile Traditional Name: 2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]amino]-6-amino-benzonitrile Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CNC2=CC=CC(=C2C#N)N)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CNC2=CC=CC(=C2C#N)N)O

InChI

InChI=1S/C21H25N3O4/c1-3-5-16-20(9-8-15(13(2)25)21(16)27)28-12-14(26)11-24-19-7-4-6-18(23)17(19)10-22/h4,6-9,14,24,26-27H,3,5,11-12,23H2,1-2H3