N-[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(3-oxidanylidene-5-phenyl-1H-1,2,4-triazol-2-yl)piperidine-1-carboxamide

Systemtic Name: N-[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(3-oxidanylidene-5-phenyl-1H-1,2,4-triazol-2-yl)piperidine-1-carboxamide Openeye Name: N-[(1R)-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-ethyl]-4-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)piperidine-1-carboxamide CAS Name: N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)-1-piperidinecarboxamide IUPAC Name: N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)piperidine-1-carboxamide Traditional Name: N-[(1R)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-2-[4-(1-methyl-4-piperidyl)piperazino]ethyl]-4-(3-keto-5-phenyl-1H-1,2,4-triazol-2-yl)piperidine-1-carboxamide Formula: C33H42Br2N8O4 MolecularWeight: 774.54578

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5C(=O)N=C(N5)C6=CC=CC=C6

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5C(=O)N=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C33H42Br2N8O4/c1-39-11-7-24(8-12-39)40-15-17-41(18-16-40)31(45)28(21-22-19-26(34)29(44)27(35)20-22)36-32(46)42-13-9-25(10-14-42)43-33(47)37-30(38-43)23-5-3-2-4-6-23/h2-6,19-20,24-25,28,44H,7-18,21H2,1H3,(H,36,46)(H,37,38,47)/t28-/m1/s1