N-tert-butyl-4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C28H34ClN5O MolecularWeight: 492.05546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC(C)(C)C)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC(C)(C)C)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H34ClN5O/c1-5-24-23(19-20-10-9-13-22(29)18-20)26(31-25(30-24)21-11-7-6-8-12-21)33-14-16-34(17-15-33)27(35)32-28(2,3)4/h6-13,18H,5,14-17,19H2,1-4H3,(H,32,35)