4-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(benzofuran-2-carbonyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H25N3O5/c1-31-22-15-18(17-26)8-9-21(22)32-14-4-7-24(29)27-10-12-28(13-11-27)25(30)23-16-19-5-2-3-6-20(19)33-23/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3