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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H21N5O3/c1-24(2)21(28)19-12-26(17-5-3-4-6-18(17)29-19)20(27)16-9-7-15(8-10-16)11-25-14-22-13-23-25/h3-10,13-14,19H,11-12H2,1-2H3