(4-bromophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C23H23BrN4O MolecularWeight: 451.35892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H23BrN4O/c1-16-4-3-5-19(14-16)22-25-17(2)15-21(26-22)27-10-12-28(13-11-27)23(29)18-6-8-20(24)9-7-18/h3-9,14-15H,10-13H2,1-2H3