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

Systemtic Name: methyl 4-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-yl-pyridin-3-yl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-yl-pyridine-3-carbonyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[4-(4-ethylcyclohexyl)-2-(1-piperazinyl)-3-pyridinyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(4-ethylcyclohexyl)-2-piperazin-1-ylpyridine-3-carbonyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-(4-ethylcyclohexyl)-2-piperazino-nicotinoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O4/c1-3-18-4-6-19(7-5-18)22-12-13-29-24(32-16-14-28-15-17-32)23(22)26(34)31-30-25(33)20-8-10-21(11-9-20)27(35)36-2/h8-13,18-19,28H,3-7,14-17H2,1-2H3,(H,30,33)(H,31,34)