1-[5-[(4-bromophenyl)methyl]pyrimidin-4-yl]piperidin-4-one

Systemtic Name: 1-[5-[(4-bromophenyl)methyl]pyrimidin-4-yl]piperidin-4-one Openeye Name: 1-[5-[(4-bromophenyl)methyl]pyrimidin-4-yl]piperidin-4-one CAS Name: 1-[5-[(4-bromophenyl)methyl]-4-pyrimidinyl]-4-piperidinone IUPAC Name: 1-[5-[(4-bromophenyl)methyl]pyrimidin-4-yl]piperidin-4-one Traditional Name: 1-[5-(4-bromobenzyl)pyrimidin-4-yl]-4-piperidone Formula: C16H16BrN3O MolecularWeight: 346.22174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=NC=NC=C2CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1=O)C2=NC=NC=C2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN3O/c17-14-3-1-12(2-4-14)9-13-10-18-11-19-16(13)20-7-5-15(21)6-8-20/h1-4,10-11H,5-9H2