2-[(4-bromanylphenoxy)methyl]-5-[4-(phenylmethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-[4-(phenylmethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzyl-1-piperidyl)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperidino)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C23H22BrN3O2/c24-19-6-8-20(9-7-19)28-16-22-26-21(15-25)23(29-22)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,18H,10-14,16H2