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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[2-(pyrazol-1-ylmethyl)phenyl]amino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[2-(pyrazol-1-ylmethyl)anilino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[2-(1-pyrazolylmethyl)anilino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[2-(pyrazol-1-ylmethyl)anilino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[2-(pyrazol-1-ylmethyl)anilino]ethyl]indole-3-carboxylic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C22H20N4O3/c1-29-22(28)18-14-25(20-10-5-3-8-17(18)20)15-21(27)24-19-9-4-2-7-16(19)13-26-12-6-11-23-26/h2-12,14H,13,15H2,1H3,(H,24,27)