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

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H21N5O3/c1-16-24(31)28-21-12-19(9-10-22(21)33-16)27-25(32)20-15-30(14-17-6-3-2-4-7-17)29-23(20)18-8-5-11-26-13-18/h2-13,15-16H,14H2,1H3,(H,27,32)(H,28,31)/t16-/m0/s1