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

Systemtic Name: 4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide Formula: C27H32ClN5O MolecularWeight: 478.02888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32ClN5O/c1-4-24-23(18-20-9-8-12-22(28)17-20)26(31-25(30-24)21-10-6-5-7-11-21)32-13-15-33(16-14-32)27(34)29-19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3,(H,29,34)