2-[(3-chloranylphenoxy)methyl]-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-chloranylphenoxy)methyl]-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-2-[(3-chlorophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 2-[(3-chlorophenoxy)methyl]-5-[4-(diphenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-2-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazino)-2-[(3-chlorophenoxy)methyl]oxazole-4-carbonitrile Formula: C28H25ClN4O2 MolecularWeight: 484.9767

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O2/c29-23-12-7-13-24(18-23)34-20-26-31-25(19-30)28(35-26)33-16-14-32(15-17-33)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,27H,14-17,20H2