2-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-yl-pyridin-3-yl]carbonylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-yl-pyridin-3-yl]carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-yl-pyridine-3-carbonyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[[4-(4-ethylcyclohexyl)-2-(1-piperazinyl)-3-pyridinyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-ylpyridine-3-carbonyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-(4-ethylcyclohexyl)-2-piperazino-nicotinoyl]amino]carbamoyl]benzoic acid Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=C(C(=NC=C2)N3CCNCC3)C(=O)NNC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCC1CCC(CC1)C2=C(C(=NC=C2)N3CCNCC3)C(=O)NNC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H33N5O4/c1-2-17-7-9-18(10-8-17)19-11-12-28-23(31-15-13-27-14-16-31)22(19)25(33)30-29-24(32)20-5-3-4-6-21(20)26(34)35/h3-6,11-12,17-18,27H,2,7-10,13-16H2,1H3,(H,29,32)(H,30,33)(H,34,35)