2-[1-(1-methoxy-2-phenyl-ethyl)pyrrol-2-yl]-3-oxidanyl-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one

Systemtic Name: 2-[1-(1-methoxy-2-phenyl-ethyl)pyrrol-2-yl]-3-oxidanyl-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Openeye Name: 3-hydroxy-2-[1-(1-methoxy-2-phenyl-ethyl)pyrrol-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one CAS Name: 3-hydroxy-2-[1-(1-methoxy-2-phenylethyl)-2-pyrrolyl]-3-(1H-1,2,4-triazol-5-yl)-1-propen-1-one IUPAC Name: 3-hydroxy-2-[1-(1-methoxy-2-phenylethyl)pyrrol-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Traditional Name: 3-hydroxy-2-[1-(1-methoxy-2-phenyl-ethyl)pyrrol-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=CC=C1)N2C=CC=C2C(=C=O)C(C3=NC=NN3)O

Isomeric SMILES

COC(CC1=CC=CC=C1)N2C=CC=C2C(=C=O)C(C3=NC=NN3)O

InChI

InChI=1S/C18H18N4O3/c1-25-16(10-13-6-3-2-4-7-13)22-9-5-8-15(22)14(11-23)17(24)18-19-12-20-21-18/h2-9,12,16-17,24H,10H2,1H3,(H,19,20,21)