ethyl 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[3-methyl-4-(m-tolylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-3-[3-methyl-4-(3-methylbenzyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC(=C(C=C3)CC4=CC=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC(=C(C=C3)CC4=CC=CC(=C4)C)C

InChI

InChI=1S/C24H23N3O3/c1-4-30-24(29)21-13-25-22-20(14-26-27(22)23(21)28)19-9-8-18(16(3)11-19)12-17-7-5-6-15(2)10-17/h5-11,13-14,26H,4,12H2,1-3H3