ethyl 3-(4-bromophenyl)carbonyl-2-butyl-pyrazolo[1,5-a]pyridine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-2-butyl-pyrazolo[1,5-a]pyridine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-2-butyl-pyrazolo[1,5-a]pyridine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-2-butyl-4-pyrazolo[1,5-a]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-2-butylpyrazolo[1,5-a]pyridine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-2-butyl-pyrazolo[1,5-a]pyridine-4-carboxylic acid ethyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN2C=CC=C(C2=C1C(=O)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCCCC1=NN2C=CC=C(C2=C1C(=O)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C21H21BrN2O3/c1-3-5-8-17-18(20(25)14-9-11-15(22)12-10-14)19-16(21(26)27-4-2)7-6-13-24(19)23-17/h6-7,9-13H,3-5,8H2,1-2H3