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

Systemtic Name: methyl 2-acetamido-3-[(2E)-2-[[3-(5-oxidanylidene-1,4-dihydropyrazol-4-yl)-1,4-dihydropyrazin-2-yl]methylidene]indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[(2E)-2-[[3-(5-oxo-1,4-dihydropyrazol-4-yl)-1,4-dihydropyrazin-2-yl]methylene]indol-3-yl]propanoate CAS Name: 2-acetamido-3-[(2E)-2-[[3-(5-oxo-1,4-dihydropyrazol-4-yl)-1,4-dihydropyrazin-2-yl]methylidene]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(2E)-2-[[3-(5-oxo-1,4-dihydropyrazol-4-yl)-1,4-dihydropyrazin-2-yl]methylidene]indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[(2E)-2-[[3-(3-keto-2-pyrazolin-4-yl)-1,4-dihydropyrazin-2-yl]methylene]indol-3-yl]propionic acid methyl ester Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C2C=CC=CC2=NC1=CC3=C(NC=CN3)C4C=NNC4=O)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC\1=C2C=CC=CC2=N/C1=C/C3=C(NC=CN3)C4C=NNC4=O)C(=O)OC

InChI

InChI=1S/C22H22N6O4/c1-12(29)26-19(22(31)32-2)9-14-13-5-3-4-6-16(13)27-17(14)10-18-20(24-8-7-23-18)15-11-25-28-21(15)30/h3-8,10-11,15,19,23-24H,9H2,1-2H3,(H,26,29)(H,28,30)/b17-10+