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

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-cyclopropyl-methanone Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN4O/c1-2-24-23(18-19-8-12-22(28)13-9-19)26(30-25(29-24)20-6-4-3-5-7-20)31-14-16-32(17-15-31)27(33)21-10-11-21/h3-9,12-13,21H,2,10-11,14-18H2,1H3