6-methyl-4-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide Openeye Name: 6-methyl-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide CAS Name: 6-methyl-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-methyl-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide Traditional Name: 4-keto-6-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]chromene-2-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H18N4O3/c1-14-2-7-19-17(8-14)18(26)9-20(28-19)21(27)23-10-15-3-5-16(6-4-15)11-25-13-22-12-24-25/h2-9,12-13H,10-11H2,1H3,(H,23,27)