N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-20-28(34)31(24-14-8-9-15-25(24)35-20)17-16-26(33)29-18-22-19-32(23-12-6-3-7-13-23)30-27(22)21-10-4-2-5-11-21/h2-15,19-20H,16-18H2,1H3,(H,29,33)/t20-/m1/s1