N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-keto-4H-1,4-benzoxazine-7-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C=C3)NC(=O)CO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C=C3)NC(=O)CO4

InChI

InChI=1S/C22H22N4O3/c1-14-18(15(2)26(25-14)12-16-6-4-3-5-7-16)11-23-22(28)17-8-9-19-20(10-17)29-13-21(27)24-19/h3-10H,11-13H2,1-2H3,(H,23,28)(H,24,27)