methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[(2E)-2-[[3-oxo-5-(3-pyridyl)-1,2-dihydropyrazol-4-yl]methylene]indol-3-yl]propanoate CAS Name: 2-acetamido-3-[(2E)-2-[[3-oxo-5-(3-pyridinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxo-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[(2E)-2-[[3-keto-5-(3-pyridyl)-3-pyrazolin-4-yl]methylene]indol-3-yl]propionic acid methyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C2C=CC=CC2=NC1=CC3=C(NNC3=O)C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC\1=C2C=CC=CC2=N/C1=C/C3=C(NNC3=O)C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C23H21N5O4/c1-13(29)25-20(23(31)32-2)10-16-15-7-3-4-8-18(15)26-19(16)11-17-21(27-28-22(17)30)14-6-5-9-24-12-14/h3-9,11-12,20H,10H2,1-2H3,(H,25,29)(H2,27,28,30)/b19-11+