3-[1-[[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-1-(4-pyridin-4-ylpiperidin-1-yl)propan-2-yl]carbamoyl]piperidin-4-yl]-2-oxidanylidene-1,4-dihydroquinazoline-7-carboxylic acid

Systemtic Name: 3-[1-[[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-1-(4-pyridin-4-ylpiperidin-1-yl)propan-2-yl]carbamoyl]piperidin-4-yl]-2-oxidanylidene-1,4-dihydroquinazoline-7-carboxylic acid Openeye Name: 3-[1-[[(1R)-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-2-[4-(4-pyridyl)-1-piperidyl]ethyl]carbamoyl]-4-piperidyl]-2-oxo-1,4-dihydroquinazoline-7-carboxylic acid CAS Name: 3-[1-[[[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-yl-1-piperidinyl)propan-2-yl]amino]-oxomethyl]-4-piperidinyl]-2-oxo-1,4-dihydroquinazoline-7-carboxylic acid IUPAC Name: 3-[1-[[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperidin-1-yl)propan-2-yl]carbamoyl]piperidin-4-yl]-2-oxo-1,4-dihydroquinazoline-7-carboxylic acid Traditional Name: 3-[1-[[(1R)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-2-[4-(4-pyridyl)piperidino]ethyl]carbamoyl]-4-piperidyl]-2-keto-1,4-dihydroquinazoline-7-carboxylic acid Formula: C34H36Br2N6O6 MolecularWeight: 784.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5CC6=C(C=C(C=C6)C(=O)O)NC5=O

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5CC6=C(C=C(C=C6)C(=O)O)NC5=O

InChI

InChI=1S/C34H36Br2N6O6/c35-26-15-20(16-27(36)30(26)43)17-29(31(44)40-11-5-22(6-12-40)21-3-9-37-10-4-21)39-33(47)41-13-7-25(8-14-41)42-19-24-2-1-23(32(45)46)18-28(24)38-34(42)48/h1-4,9-10,15-16,18,22,25,29,43H,5-8,11-14,17,19H2,(H,38,48)(H,39,47)(H,45,46)/t29-/m1/s1