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

Systemtic Name: N-[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Openeye Name: N-[(1R)-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide CAS Name: N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Traditional Name: N-[(1R)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Formula: C33H35Br2FN6O4 MolecularWeight: 758.475203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N5CCN(CC5)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N5CCN(CC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C33H35Br2FN6O4/c34-26-17-21(18-27(35)30(26)43)19-29(31(44)40-15-13-39(14-16-40)24-7-5-23(36)6-8-24)38-32(45)41-11-9-25(10-12-41)42-20-22-3-1-2-4-28(22)37-33(42)46/h1-8,17-18,25,29,43H,9-16,19-20H2,(H,37,46)(H,38,45)/t29-/m1/s1