methyl 1-[2-oxidanylidene-2-[[3-(1H-pyrazol-5-yl)phenyl]amino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[3-(1H-pyrazol-5-yl)phenyl]amino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[3-(1H-pyrazol-5-yl)anilino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[3-(1H-pyrazol-5-yl)anilino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[3-(1H-pyrazol-5-yl)anilino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-(1H-pyrazol-5-yl)anilino]ethyl]indole-3-carboxylic acid methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C21H18N4O3/c1-28-21(27)17-12-25(19-8-3-2-7-16(17)19)13-20(26)23-15-6-4-5-14(11-15)18-9-10-22-24-18/h2-12H,13H2,1H3,(H,22,24)(H,23,26)