[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclobutyl-methanone

Systemtic Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclobutyl-methanone Openeye Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclobutyl-methanone CAS Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-cyclobutylmethanone IUPAC Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-cyclobutylmethanone Traditional Name: [4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-cyclobutyl-methanone Formula: C28H31ClN4O MolecularWeight: 475.02494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H31ClN4O/c1-2-25-24(19-20-8-6-13-23(29)18-20)27(31-26(30-25)21-9-4-3-5-10-21)32-14-16-33(17-15-32)28(34)22-11-7-12-22/h3-6,8-10,13,18,22H,2,7,11-12,14-17,19H2,1H3