tert-butyl N-[5-[4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]carbonylpyrimidin-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-[4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]carbonylpyrimidin-2-yl]carbamate Openeye Name: tert-butyl N-[5-[4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carbonyl]pyrimidin-2-yl]carbamate CAS Name: N-[5-[oxo-[4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-1-piperidinyl]methyl]-2-pyrimidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carbonyl]pyrimidin-2-yl]carbamate Traditional Name: N-[5-[4-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]piperidine-1-carbonyl]pyrimidin-2-yl]carbamic acid tert-butyl ester Formula: C27H35N7O4 MolecularWeight: 521.6113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=N1)C(=O)N2CCC(CC2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=N1)C(=O)N2CCC(CC2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H35N7O4/c1-27(2,3)38-26(37)31-24-28-16-18(17-29-24)23(35)33-14-8-19(9-15-33)32-12-10-20(11-13-32)34-22-7-5-4-6-21(22)30-25(34)36/h4-7,16-17,19-20H,8-15H2,1-3H3,(H,30,36)(H,28,29,31,37)