4-(azepan-1-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(azepan-1-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-4-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-yl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-oxo-butanenitrile CAS Name: 4-(1-azepanyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-4-oxobutanenitrile IUPAC Name: 4-(azepan-1-yl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-oxobutanenitrile Traditional Name: 4-(azepan-1-yl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-keto-butyronitrile Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)CC(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H27FN4O2/c22-18-7-3-4-8-19(18)24-11-13-26(14-12-24)21(28)17(16-23)15-20(27)25-9-5-1-2-6-10-25/h3-4,7-8,17H,1-2,5-6,9-15H2