7-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H23ClN4O5S/c1-14-20(22(29)27(25(14)2)16-7-5-4-6-8-16)24-21(28)19-11-12-26(33(3,30)31)17-13-15(23)9-10-18(17)32-19/h4-10,13,19H,11-12H2,1-3H3,(H,24,28)