1-[2-azanyl-5-[[2-chloranyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one

Systemtic Name: 1-[2-azanyl-5-[[2-chloranyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[2-amino-5-[2-chloro-4-(trifluoromethyl)benzyl]pyrimidin-4-yl]-3-piperidone Formula: C17H16ClF3N4O MolecularWeight: 384.78335

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CN(C1)C2=NC(=NC=C2CC3=C(C=C(C=C3)C(F)(F)F)Cl)N

Isomeric SMILES

C1CC(=O)CN(C1)C2=NC(=NC=C2CC3=C(C=C(C=C3)C(F)(F)F)Cl)N

InChI

InChI=1S/C17H16ClF3N4O/c18-14-7-12(17(19,20)21)4-3-10(14)6-11-8-23-16(22)24-15(11)25-5-1-2-13(26)9-25/h3-4,7-8H,1-2,5-6,9H2,(H2,22,23,24)