N-[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxamide

Systemtic Name: N-[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxamide Openeye Name: N-[(1R)-1-[(3-bromo-4-hydroxy-phenyl)methyl]-2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide CAS Name: N-[(2R)-3-(3-bromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxamide IUPAC Name: N-[(2R)-3-(3-bromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide Traditional Name: N-[(1R)-1-(3-bromo-4-hydroxy-benzyl)-2-keto-2-[4-(4-pyridyl)piperazino]ethyl]-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxamide Formula: C31H34BrN7O4 MolecularWeight: 648.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C=C4)O)Br)C(=O)N5CCN(CC5)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C=C4)O)Br)C(=O)N5CCN(CC5)C6=CC=NC=C6

InChI

InChI=1S/C31H34BrN7O4/c32-24-19-21(5-6-28(24)40)20-26(29(41)37-17-15-36(16-18-37)22-7-11-33-12-8-22)35-30(42)38-13-9-23(10-14-38)39-27-4-2-1-3-25(27)34-31(39)43/h1-8,11-12,19,23,26,40H,9-10,13-18,20H2,(H,34,43)(H,35,42)/t26-/m1/s1