N-[(2R)-3-[4-azanyl-3,5-bis(bromanyl)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-[4-azanyl-3,5-bis(bromanyl)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-[(4-amino-3,5-dibromo-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-(4-amino-3,5-dibromophenyl)-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-(4-amino-3,5-dibromophenyl)-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-(4-amino-3,5-dibromo-benzyl)-2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Formula: C33H36Br2FN7O3 MolecularWeight: 757.490443

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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)N)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)N)Br)C(=O)N5CCN(CC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C33H36Br2FN7O3/c34-26-17-21(18-27(35)30(26)37)19-29(31(44)41-15-13-40(14-16-41)24-7-5-23(36)6-8-24)39-32(45)42-11-9-25(10-12-42)43-20-22-3-1-2-4-28(22)38-33(43)46/h1-8,17-18,25,29H,9-16,19-20,37H2,(H,38,46)(H,39,45)/t29-/m1/s1