4-[[4-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]piperazino]methyl]benzonitrile Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=C(C=C4)C#N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C24H25N3O3/c1-2-19-11-21-20(12-24(29)30-23(21)13-22(19)28)16-27-9-7-26(8-10-27)15-18-5-3-17(14-25)4-6-18/h3-6,11-13,28H,2,7-10,15-16H2,1H3