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

Systemtic Name: 2-[[[4-(4-methylcyclohexyl)-2-piperazin-1-yl-pyridin-3-yl]carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-(4-methylcyclohexyl)-2-piperazin-1-yl-pyridine-3-carbonyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[[4-(4-methylcyclohexyl)-2-(1-piperazinyl)-3-pyridinyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[4-(4-methylcyclohexyl)-2-piperazin-1-ylpyridine-3-carbonyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-(4-methylcyclohexyl)-2-piperazino-nicotinoyl]amino]carbamoyl]benzoic acid Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=C(C(=NC=C2)N3CCNCC3)C(=O)NNC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1CCC(CC1)C2=C(C(=NC=C2)N3CCNCC3)C(=O)NNC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H31N5O4/c1-16-6-8-17(9-7-16)18-10-11-27-22(30-14-12-26-13-15-30)21(18)24(32)29-28-23(31)19-4-2-3-5-20(19)25(33)34/h2-5,10-11,16-17,26H,6-9,12-15H2,1H3,(H,28,31)(H,29,32)(H,33,34)