N-(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)-4-(4-phenylbuta-1,3-diynyl)benzamide

Systemtic Name: N-(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)-4-(4-phenylbuta-1,3-diynyl)benzamide Openeye Name: N-(1-carbamoyl-2-hydroxy-propyl)-4-(4-phenylbuta-1,3-diynyl)benzamide CAS Name: N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-4-(4-phenylbuta-1,3-diynyl)benzamide IUPAC Name: N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-4-(4-phenylbuta-1,3-diynyl)benzamide Traditional Name: N-(1-carbamoyl-2-hydroxy-propyl)-4-(4-phenylbuta-1,3-diynyl)benzamide Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)NC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2)O

Isomeric SMILES

CC(C(C(=O)N)NC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2)O

InChI

InChI=1S/C21H18N2O3/c1-15(24)19(20(22)25)23-21(26)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24H,1H3,(H2,22,25)(H,23,26)