methyl 4-bromanyl-2-[4-[[[1-(pyrimidin-5-ylcarbonylamino)cyclopropyl]carbonylamino]methyl]piperidin-1-yl]benzoate

Systemtic Name: methyl 4-bromanyl-2-[4-[[[1-(pyrimidin-5-ylcarbonylamino)cyclopropyl]carbonylamino]methyl]piperidin-1-yl]benzoate Openeye Name: methyl 4-bromo-2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]-1-piperidyl]benzoate CAS Name: 4-bromo-2-[4-[[[oxo-[1-[[oxo(5-pyrimidinyl)methyl]amino]cyclopropyl]methyl]amino]methyl]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]benzoate Traditional Name: 4-bromo-2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidino]benzoic acid methyl ester Formula: C23H26BrN5O4 MolecularWeight: 516.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)N2CCC(CC2)CNC(=O)C3(CC3)NC(=O)C4=CN=CN=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)N2CCC(CC2)CNC(=O)C3(CC3)NC(=O)C4=CN=CN=C4

InChI

InChI=1S/C23H26BrN5O4/c1-33-21(31)18-3-2-17(24)10-19(18)29-8-4-15(5-9-29)11-27-22(32)23(6-7-23)28-20(30)16-12-25-14-26-13-16/h2-3,10,12-15H,4-9,11H2,1H3,(H,27,32)(H,28,30)