4-[4-[[5-[(2-chlorophenyl)methoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[5-[(2-chlorophenyl)methoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[5-[(2-chlorophenyl)methoxy]-4-oxo-pyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[[5-[(2-chlorophenyl)methoxy]-4-oxo-2-pyranyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[[5-[(2-chlorophenyl)methoxy]-4-oxopyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[[5-(2-chlorobenzyl)oxy-4-keto-pyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22ClN3O4/c26-22-4-2-1-3-20(22)16-33-24-17-32-21(13-23(24)30)15-28-9-11-29(12-10-28)25(31)19-7-5-18(14-27)6-8-19/h1-8,13,17H,9-12,15-16H2