2-[3-oxidanylidene-3-[1-(3-pyrrol-1-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[1-(3-pyrrol-1-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[1-(3-pyrrol-1-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[1-[3-(1-pyrrolyl)phenyl]ethylamino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[1-(3-pyrrol-1-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[1-(3-pyrrol-1-ylphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C19H20N4O3/c1-14(15-5-4-6-16(13-15)22-10-2-3-11-22)21-18(24)8-12-23-17(19(25)26)7-9-20-23/h2-7,9-11,13-14H,8,12H2,1H3,(H,21,24)(H,25,26)