[5-cyano-2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-morpholin-4-yl-phenyl]carbamic acid

Systemtic Name: [5-cyano-2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-morpholin-4-yl-phenyl]carbamic acid Openeye Name: [5-cyano-2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-4-morpholino-phenyl]carbamic acid CAS Name: [5-cyano-2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-(4-morpholinyl)phenyl]carbamic acid IUPAC Name: [5-cyano-2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-morpholin-4-ylphenyl]carbamic acid Traditional Name: [5-cyano-2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-4-morpholino-phenyl]carbamic acid Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2C#N)NC(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2C#N)NC(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H19N5O5/c23-12-14-2-1-3-15(8-14)20(28)11-21(29)25-18-10-19(27-4-6-32-7-5-27)16(13-24)9-17(18)26-22(30)31/h1-3,8-10,26H,4-7,11H2,(H,25,29)(H,30,31)