N-(2-bromophenyl)-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-(2-bromophenyl)piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-N-(2-bromophenyl)piperazine-1-carboxamide Traditional Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-(2-bromophenyl)piperazine-1-carboxamide Formula: C29H27BrClN5O MolecularWeight: 576.91458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)NC4=CC=CC=C4Br)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)NC4=CC=CC=C4Br)CC5=CC=CC=C5

InChI

InChI=1S/C29H27BrClN5O/c1-20-24(19-21-7-3-2-4-8-21)28(34-27(32-20)22-11-13-23(31)14-12-22)35-15-17-36(18-16-35)29(37)33-26-10-6-5-9-25(26)30/h2-14H,15-19H2,1H3,(H,33,37)