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

Systemtic Name: [4-[5-[(3-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclobutyl-methanone Openeye Name: [4-[5-[(3-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclobutyl-methanone CAS Name: [4-[5-[(3-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-cyclobutylmethanone IUPAC Name: [4-[5-[(3-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-cyclobutylmethanone Traditional Name: [4-[5-(3-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-cyclobutyl-methanone Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H29ClN4O/c1-19-24(18-20-7-5-12-23(28)17-20)26(30-25(29-19)21-8-3-2-4-9-21)31-13-15-32(16-14-31)27(33)22-10-6-11-22/h2-5,7-9,12,17,22H,6,10-11,13-16,18H2,1H3