[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzoxazole-5-carboxylate Openeye Name: [2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl] 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-carboxylic acid [2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid [2-(4-benzhydrylpiperazino)-2-keto-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC(=O)C4=CC5=C(C=C4)OC=N5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC(=O)C4=CC5=C(C=C4)OC=N5

InChI

InChI=1S/C27H25N3O4/c31-25(18-33-27(32)22-11-12-24-23(17-22)28-19-34-24)29-13-15-30(16-14-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,19,26H,13-16,18H2