4-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(5-bromo-2-pyridyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3/c1-28-19-13-16(14-23)4-6-18(19)29-12-2-3-21(27)26-10-8-25(9-11-26)20-7-5-17(22)15-24-20/h4-7,13,15H,2-3,8-12H2,1H3