4-[[4-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(7-bromo-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7-bromo-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(7-bromo-2-oxochromen-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(7-bromo-2-keto-chromen-4-yl)methyl]piperazino]methyl]benzonitrile Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H20BrN3O2/c23-19-5-6-20-18(11-22(27)28-21(20)12-19)15-26-9-7-25(8-10-26)14-17-3-1-16(13-24)2-4-17/h1-6,11-12H,7-10,14-15H2