4-ethanoyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H21N5O3/c1-15(27)26-12-20(29-19-5-3-2-4-18(19)26)21(28)23-10-16-6-8-17(9-7-16)11-25-14-22-13-24-25/h2-9,13-14,20H,10-12H2,1H3,(H,23,28)