3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-[4-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C23H24N4O3/c1-17-23(29)27(20-5-2-3-6-21(20)30-17)14-11-22(28)24-15-18-7-9-19(10-8-18)16-26-13-4-12-25-26/h2-10,12-13,17H,11,14-16H2,1H3,(H,24,28)/t17-/m0/s1