N-[(2R)-3-[3-chloranyl-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxidanylidene-1-(4-piperazin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

Systemtic Name: N-[(2R)-3-[3-chloranyl-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxidanylidene-1-(4-piperazin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Openeye Name: N-[(1R)-1-[[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]methyl]-2-oxo-2-(4-piperazin-1-yl-1-piperidyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide CAS Name: N-[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxo-1-[4-(1-piperazinyl)-1-piperidinyl]propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperazin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Traditional Name: N-[(1R)-1-[3-chloro-4-(methylamino)-5-(trifluoromethyl)benzyl]-2-keto-2-(4-piperazinopiperidino)ethyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Formula: C34H44ClF3N8O3 MolecularWeight: 705.21317

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1Cl)CC(C(=O)N2CCC(CC2)N3CCNCC3)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C(F)(F)F

Isomeric SMILES

CNC1=C(C=C(C=C1Cl)C[C@H](C(=O)N2CCC(CC2)N3CCNCC3)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C(F)(F)F

InChI

InChI=1S/C34H44ClF3N8O3/c1-39-30-26(34(36,37)38)18-22(19-27(30)35)20-29(31(47)44-12-6-24(7-13-44)43-16-10-40-11-17-43)42-32(48)45-14-8-25(9-15-45)46-21-23-4-2-3-5-28(23)41-33(46)49/h2-5,18-19,24-25,29,39-40H,6-17,20-21H2,1H3,(H,41,49)(H,42,48)/t29-/m1/s1