(2R)-4-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3C[C@@H](OC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c1-17-8-7-9-18(14-17)24-20(15-30(28-24)19-10-3-2-4-11-19)26(32)29-16-23(25(27)31)33-22-13-6-5-12-21(22)29/h2-15,23H,16H2,1H3,(H2,27,31)/t23-/m1/s1