N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCN2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCN2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-25(2,3)21-15-22(29(27-21)16-18-9-5-4-6-10-18)26-23(30)13-14-28-19-11-7-8-12-20(19)32-17-24(28)31/h4-12,15H,13-14,16-17H2,1-3H3,(H,26,30)