N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]ethanamide

Systemtic Name: N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]ethanamide Openeye Name: N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]acetamide CAS Name: N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-pyrimidinyl]acetamide IUPAC Name: N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]acetamide Traditional Name: N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]acetamide Formula: C25H22Cl2N6O4 MolecularWeight: 541.38598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=N1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(=O)NC1=NC=CC(=N1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H22Cl2N6O4/c1-16(34)31-24-29-9-8-23(32-24)17-2-5-19(6-3-17)35-11-20-12-36-25(37-20,13-33-15-28-14-30-33)21-7-4-18(26)10-22(21)27/h2-10,14-15,20H,11-13H2,1H3,(H,29,31,32,34)/t20-,25-/m1/s1