4-[[4-[2-(2-oxidanylidenechromen-7-yl)oxyethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-oxidanylidenechromen-7-yl)oxyethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-ketochromen-7-yl)oxyacetyl]piperazino]methyl]benzonitrile Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C23H21N3O4/c24-14-17-1-3-18(4-2-17)15-25-9-11-26(12-10-25)22(27)16-29-20-7-5-19-6-8-23(28)30-21(19)13-20/h1-8,13H,9-12,15-16H2