N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-chloranylphenoxy)piperidin-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-chloranylphenoxy)piperidin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-chlorophenoxy)-1-piperidyl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(4-chlorophenoxy)-1-piperidinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(4-chlorophenoxy)piperidin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-chlorophenoxy)piperidino]acetamide Formula: C27H31ClN6O3 MolecularWeight: 523.02644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC(CC2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC(CC2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H31ClN6O3/c1-19(35)29-13-14-30-24-17-25(33-27(32-24)20-5-3-2-4-6-20)31-26(36)18-34-15-11-23(12-16-34)37-22-9-7-21(28)8-10-22/h2-10,17,23H,11-16,18H2,1H3,(H,29,35)(H2,30,31,32,33,36)