(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]acrylamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC3=C(C=C2)OC(C(=O)N3)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC3=C(C=C2)O[C@@H](C(=O)N3)C)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-4-5-10-25-19(21)15(12(2)24-25)7-9-18(26)22-14-6-8-17-16(11-14)23-20(27)13(3)28-17/h6-9,11,13H,4-5,10H2,1-3H3,(H,22,26)(H,23,27)/b9-7+/t13-/m1/s1