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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]pyrazole-4-carboxamide Formula: C28H26N4O5 MolecularWeight: 498.52984

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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(=C(C=C4)OC)OC)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O5/c1-17-27(33)30-22-14-20(10-12-23(22)37-17)29-28(34)21-16-32(15-18-7-5-4-6-8-18)31-26(21)19-9-11-24(35-2)25(13-19)36-3/h4-14,16-17H,15H2,1-3H3,(H,29,34)(H,30,33)/t17-/m0/s1