cyclopentyl 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: cyclopentyl 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: cyclopentyl 4-[[4-[5-(aminomethyl)-2-pyridyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[5-(aminomethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[5-(aminomethyl)-2-pyridyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid cyclopentyl ester Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C2CCC(CC2)NC(=O)N3CCN(CC3)C4=NC=C(C=C4)CN

Isomeric SMILES

C1CCC(C1)OC(=O)C2CCC(CC2)NC(=O)N3CCN(CC3)C4=NC=C(C=C4)CN

InChI

InChI=1S/C23H35N5O3/c24-15-17-5-10-21(25-16-17)27-11-13-28(14-12-27)23(30)26-19-8-6-18(7-9-19)22(29)31-20-3-1-2-4-20/h5,10,16,18-20H,1-4,6-9,11-15,24H2,(H,26,30)