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

Systemtic Name: 4-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(2-furoyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H23N3O5/c1-27-19-14-16(15-22)6-7-17(19)28-13-3-5-20(25)23-8-10-24(11-9-23)21(26)18-4-2-12-29-18/h2,4,6-7,12,14H,3,5,8-11,13H2,1H3