5-methoxy-3,4-dimethyl-7-[2-(phenylmethyl)-1,2,4-triazol-3-yl]chromen-2-one

Systemtic Name: 5-methoxy-3,4-dimethyl-7-[2-(phenylmethyl)-1,2,4-triazol-3-yl]chromen-2-one Openeye Name: 7-(2-benzyl-1,2,4-triazol-3-yl)-5-methoxy-3,4-dimethyl-chromen-2-one CAS Name: 5-methoxy-3,4-dimethyl-7-[2-(phenylmethyl)-1,2,4-triazol-3-yl]-1-benzopyran-2-one IUPAC Name: 7-(2-benzyl-1,2,4-triazol-3-yl)-5-methoxy-3,4-dimethylchromen-2-one Traditional Name: 7-(2-benzyl-1,2,4-triazol-3-yl)-5-methoxy-3,4-dimethyl-coumarin Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C(=CC(=C2)C3=NC=NN3CC4=CC=CC=C4)OC)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C(=CC(=C2)C3=NC=NN3CC4=CC=CC=C4)OC)C

InChI

InChI=1S/C21H19N3O3/c1-13-14(2)21(25)27-18-10-16(9-17(26-3)19(13)18)20-22-12-23-24(20)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3