ethyl 5-[(4-pyrrol-1-ylphenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-pyrrol-1-ylphenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-pyrrol-1-ylbenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-pyrrol-1-ylbenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(4-pyrrol-1-ylbenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C26H21N5O3/c1-2-34-26(33)21-17-27-31(23-14-11-18-7-3-4-8-22(18)28-23)24(21)29-25(32)19-9-12-20(13-10-19)30-15-5-6-16-30/h3-17H,2H2,1H3,(H,29,32)