(2S)-4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3C[C@H](OC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O3/c23-21(27)20-13-25(17-8-4-5-9-19(17)29-20)22(28)18-12-16(14-10-11-14)24-26(18)15-6-2-1-3-7-15/h1-9,12,14,20H,10-11,13H2,(H2,23,27)/t20-/m0/s1