diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate

Systemtic Name: diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate Openeye Name: diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate CAS Name: 3-cyano-7-(1-methyl-3-indolyl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate Traditional Name: 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylic acid diethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CNN2C1(C3=CN(C4=CC=CC=C43)C)C(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CNN2C1(C3=CN(C4=CC=CC=C43)C)C(=O)OCC)C#N

InChI

InChI=1S/C22H21N5O4/c1-4-30-20(28)16-12-24-19-14(10-23)11-25-27(19)22(16,21(29)31-5-2)17-13-26(3)18-9-7-6-8-15(17)18/h6-9,11-13,25H,4-5H2,1-3H3