N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-19(32)30-18-25(34-24-15-9-8-14-23(24)30)27(33)28-16-21-17-31(22-12-6-3-7-13-22)29-26(21)20-10-4-2-5-11-20/h2-15,17,25H,16,18H2,1H3,(H,28,33)