(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(3-keto-4H-1,4-benzoxazin-6-yl)acrylamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20N4O3/c1-12-7-14(13(2)25(12)17-4-5-17)8-15(10-22)21(27)23-16-3-6-19-18(9-16)24-20(26)11-28-19/h3,6-9,17H,4-5,11H2,1-2H3,(H,23,27)(H,24,26)/b15-8+