3-methoxy-4-[4-oxidanylidene-4-(4-piperidin-1-ylcarbonylpiperazin-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-(4-piperidin-1-ylcarbonylpiperazin-1-yl)butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-[4-(piperidine-1-carbonyl)piperazin-1-yl]butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-[4-(piperidine-1-carbonyl)piperazin-1-yl]butoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-(piperidine-1-carbonyl)piperazino]butoxy]-3-methoxy-benzonitrile Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H30N4O4/c1-29-20-16-18(17-23)7-8-19(20)30-15-5-6-21(27)24-11-13-26(14-12-24)22(28)25-9-3-2-4-10-25/h7-8,16H,2-6,9-15H2,1H3