(2S)-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: (2S)-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione Openeye Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]butane-1,4-dione CAS Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]butane-1,4-dione IUPAC Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione Traditional Name: (2S)-2-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]-4-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-1-[4-(1-methyl-4-piperidyl)piperazino]butane-1,4-dione Formula: C35H45ClF3N7O3 MolecularWeight: 704.22511

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)CC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)CC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

InChI

InChI=1S/C35H45ClF3N7O3/c1-42-10-6-26(7-11-42)43-14-16-45(17-15-43)33(48)25(18-23-19-28(35(37,38)39)32(40)29(36)20-23)21-31(47)44-12-8-27(9-13-44)46-22-24-4-2-3-5-30(24)41-34(46)49/h2-5,19-20,25-27H,6-18,21-22,40H2,1H3,(H,41,49)/t25-/m0/s1