2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid Openeye Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid CAS Name: 5-[[oxo(thiophen-2-yl)methyl]amino]-2-(4-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid Traditional Name: 2-(4-phenylpiperazino)-5-(2-thenoylamino)nicotinic acid Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H20N4O3S/c26-20(18-7-4-12-29-18)23-15-13-17(21(27)28)19(22-14-15)25-10-8-24(9-11-25)16-5-2-1-3-6-16/h1-7,12-14H,8-11H2,(H,23,26)(H,27,28)