methyl 4-[[[4-(4-methylcyclohexyl)-2-piperazin-1-yl-pyridin-3-yl]carbonylamino]carbamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O4/c1-17-3-5-18(6-4-17)21-11-12-28-23(31-15-13-27-14-16-31)22(21)25(33)30-29-24(32)19-7-9-20(10-8-19)26(34)35-2/h7-12,17-18,27H,3-6,13-16H2,1-2H3,(H,29,32)(H,30,33)