2-[4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[4-(2-bromo-5-methoxy-benzyl)piperidino]piperidino]pyrimidine Formula: C22H29BrN4O MolecularWeight: 445.39586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29BrN4O/c1-28-20-3-4-21(23)18(16-20)15-17-5-11-26(12-6-17)19-7-13-27(14-8-19)22-24-9-2-10-25-22/h2-4,9-10,16-17,19H,5-8,11-15H2,1H3