3-[3-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]-1-benzofuran-5-carbonitrile

Systemtic Name: 3-[3-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]-1-benzofuran-5-carbonitrile Openeye Name: 3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]benzofuran-5-carbonitrile CAS Name: 3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]propyl]-5-benzofurancarbonitrile IUPAC Name: 3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]-1-benzofuran-5-carbonitrile Traditional Name: 3-[3-[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]propyl]benzofuran-5-carbonitrile Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=COC3=C2C=C(C=C3)C#N)C4=CC=CC5=C4OC(=O)N5

Isomeric SMILES

C1CN(CCN1CCCC2=COC3=C2C=C(C=C3)C#N)C4=CC=CC5=C4OC(=O)N5

InChI

InChI=1S/C23H22N4O3/c24-14-16-6-7-21-18(13-16)17(15-29-21)3-2-8-26-9-11-27(12-10-26)20-5-1-4-19-22(20)30-23(28)25-19/h1,4-7,13,15H,2-3,8-12H2,(H,25,28)