7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-phenyl-chromen-2-one

Systemtic Name: 7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-phenyl-chromen-2-one Openeye Name: 7-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethoxy]-4-phenyl-chromen-2-one CAS Name: 7-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-phenylchromen-2-one Traditional Name: 7-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethoxy]-4-phenyl-coumarin Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c31-26(30-14-12-29(13-15-30)18-20-8-10-28-11-9-20)19-33-22-6-7-23-24(21-4-2-1-3-5-21)17-27(32)34-25(23)16-22/h1-11,16-17H,12-15,18-19H2