4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethoxy]benzonitrile Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H27N3O3/c22-15-17-5-7-19(8-6-17)27-16-20(25)23-13-9-18(10-14-23)21(26)24-11-3-1-2-4-12-24/h5-8,18H,1-4,9-14,16H2