3-oxidanyl-3-(5-phenethyl-1H-pyrrol-3-yl)-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one

Systemtic Name: 3-oxidanyl-3-(5-phenethyl-1H-pyrrol-3-yl)-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one Openeye Name: 3-hydroxy-3-(5-phenethyl-1H-pyrrol-3-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one CAS Name: 3-hydroxy-3-(5-phenethyl-1H-pyrrol-3-yl)-1-(2H-tetrazol-5-yl)-2-propen-1-one IUPAC Name: 3-hydroxy-3-(5-phenethyl-1H-pyrrol-3-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one Traditional Name: 3-hydroxy-3-(5-phenethyl-1H-pyrrol-3-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one Formula: C16H15N5O2 MolecularWeight: 309.3226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=CN2)C(=CC(=O)C3=NNN=N3)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=CN2)C(=CC(=O)C3=NNN=N3)O

InChI

InChI=1S/C16H15N5O2/c22-14(9-15(23)16-18-20-21-19-16)12-8-13(17-10-12)7-6-11-4-2-1-3-5-11/h1-5,8-10,17,22H,6-7H2,(H,18,19,20,21)