1-[1-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-4-piperidin-1-yl-piperidin-4-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-butane-1,4-dione

Systemtic Name: 1-[1-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-4-piperidin-1-yl-piperidin-4-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-butane-1,4-dione Openeye Name: 1-[1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-4-(1-piperidyl)-4-piperidyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidyl)butane-1,4-dione CAS Name: 1-[1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-4-(1-piperidinyl)-4-piperidinyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidinyl)butane-1,4-dione IUPAC Name: 1-[1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-4-piperidin-1-ylpiperidin-4-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-ylbutane-1,4-dione Traditional Name: 1-[1-(3,5-dibromo-4-hydroxy-benzyl)-4-piperidino-4-piperidyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)-2-piperidino-butane-1,4-dione Formula: C34H43Br2N5O4 MolecularWeight: 745.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CC(=O)N2CC3=CC=CC=C3NC2=O)C(=O)C4(CCN(CC4)CC5=CC(=C(C(=C5)Br)O)Br)N6CCCCC6

Isomeric SMILES

C1CCN(CC1)C(CC(=O)N2CC3=CC=CC=C3NC2=O)C(=O)C4(CCN(CC4)CC5=CC(=C(C(=C5)Br)O)Br)N6CCCCC6

InChI

InChI=1S/C34H43Br2N5O4/c35-26-19-24(20-27(36)31(26)43)22-38-17-11-34(12-18-38,40-15-7-2-8-16-40)32(44)29(39-13-5-1-6-14-39)21-30(42)41-23-25-9-3-4-10-28(25)37-33(41)45/h3-4,9-10,19-20,29,43H,1-2,5-8,11-18,21-23H2,(H,37,45)