(4-naphthalen-1-yl-2-piperazin-1-yl-pyrimidin-5-yl) N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-carbamate

Systemtic Name: (4-naphthalen-1-yl-2-piperazin-1-yl-pyrimidin-5-yl) N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-carbamate Openeye Name: [4-(1-naphthyl)-2-piperazin-1-yl-pyrimidin-5-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-carbamate CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methylcarbamic acid [4-(1-naphthalenyl)-2-(1-piperazinyl)-5-pyrimidinyl] ester IUPAC Name: (4-naphthalen-1-yl-2-piperazin-1-ylpyrimidin-5-yl) N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methylcarbamate Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-N-methyl-carbamic acid [4-(1-naphthyl)-2-piperazino-pyrimidin-5-yl] ester Formula: C29H25F6N5O2 MolecularWeight: 589.531519

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)OC2=CN=C(N=C2C3=CC=CC4=CC=CC=C43)N5CCNCC5

Isomeric SMILES

CN(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)OC2=CN=C(N=C2C3=CC=CC4=CC=CC=C43)N5CCNCC5

InChI

InChI=1S/C29H25F6N5O2/c1-39(17-18-13-20(28(30,31)32)15-21(14-18)29(33,34)35)27(41)42-24-16-37-26(40-11-9-36-10-12-40)38-25(24)23-8-4-6-19-5-2-3-7-22(19)23/h2-8,13-16,36H,9-12,17H2,1H3