butyl 2-[[4-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: butyl 2-[[4-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]piperidin-1-yl]carbonylamino]ethanoate Openeye Name: butyl 2-[[4-[3-[4-(2-pyridyl)piperazine-1-carbonyl]-1-piperidyl]piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[4-[3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-piperidinyl]-1-piperidinyl]methyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[[4-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[3-[4-(2-pyridyl)piperazine-1-carbonyl]piperidino]piperidine-1-carbonyl]amino]acetic acid butyl ester Formula: C27H42N6O4 MolecularWeight: 514.66018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCCOC(=O)CNC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H42N6O4/c1-2-3-19-37-25(34)20-29-27(36)32-13-9-23(10-14-32)33-12-6-7-22(21-33)26(35)31-17-15-30(16-18-31)24-8-4-5-11-28-24/h4-5,8,11,22-23H,2-3,6-7,9-10,12-21H2,1H3,(H,29,36)