4-[1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)N2CCCCCC2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)N2CCCCCC2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H29N3O3/c1-17(28-20-8-6-18(16-23)7-9-20)21(26)25-14-10-19(11-15-25)22(27)24-12-4-2-3-5-13-24/h6-9,17,19H,2-5,10-15H2,1H3