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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)oxazole-4-carbonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-(diphenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazino)-2-(3,4-dimethoxyphenyl)oxazole-4-carbonitrile Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC

InChI

InChI=1S/C29H28N4O3/c1-34-25-14-13-23(19-26(25)35-2)28-31-24(20-30)29(36-28)33-17-15-32(16-18-33)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,27H,15-18H2,1-2H3