[5-(dimethylamino)-3-ethynyl-2-[[3-oxidanylidene-3-[3-(1,2,3-triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamic acid

Systemtic Name: [5-(dimethylamino)-3-ethynyl-2-[[3-oxidanylidene-3-[3-(1,2,3-triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamic acid Openeye Name: [5-(dimethylamino)-3-ethynyl-2-[[3-oxo-3-[3-(triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamic acid CAS Name: [5-(dimethylamino)-2-[[1,3-dioxo-3-[3-(1-triazolyl)phenyl]propyl]amino]-3-ethynylphenyl]carbamic acid IUPAC Name: [5-(dimethylamino)-3-ethynyl-2-[[3-oxo-3-[3-(triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamic acid Traditional Name: [5-(dimethylamino)-3-ethynyl-2-[[3-keto-3-[3-(triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamic acid Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C(=C1)C#C)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=CN=N3)NC(=O)O

Isomeric SMILES

CN(C)C1=CC(=C(C(=C1)C#C)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=CN=N3)NC(=O)O

InChI

InChI=1S/C22H20N6O4/c1-4-14-10-17(27(2)3)12-18(24-22(31)32)21(14)25-20(30)13-19(29)15-6-5-7-16(11-15)28-9-8-23-26-28/h1,5-12,24H,13H2,2-3H3,(H,25,30)(H,31,32)