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

Systemtic Name: (3-bromophenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]-(3-bromophenyl)methanone CAS Name: (3-bromophenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]-(3-bromophenyl)methanone Formula: C29H27BrN4O MolecularWeight: 527.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C29H27BrN4O/c1-21-26(19-22-9-4-2-5-10-22)28(32-27(31-21)23-11-6-3-7-12-23)33-15-17-34(18-16-33)29(35)24-13-8-14-25(30)20-24/h2-14,20H,15-19H2,1H3