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

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=CC=C1)N2C=CC(=C2)C(=C=O)C(C3=NC=NN3)O

Isomeric SMILES

COC(CC1=CC=CC=C1)N2C=CC(=C2)C(=C=O)C(C3=NC=NN3)O

InChI

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