N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-phenyl-pyrazole-4-carboxamide Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c1-17-25(31)28-22-14-20(12-13-23(22)33-17)27-26(32)21-16-30(15-18-8-4-2-5-9-18)29-24(21)19-10-6-3-7-11-19/h2-14,16-17H,15H2,1H3,(H,27,32)(H,28,31)/t17-/m0/s1