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

Systemtic Name: ethyl 3-[4-[(3-methylphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[4-(m-tolylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-3-[4-(3-methylbenzyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c1-3-29-23(28)20-13-24-21-19(14-25-26(21)22(20)27)18-9-7-16(8-10-18)12-17-6-4-5-15(2)11-17/h4-11,13-14,25H,3,12H2,1-2H3