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

Systemtic Name: 6-chloranyl-7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-phenyl-chromen-2-one Openeye Name: 6-chloro-7-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethoxy]-4-phenyl-chromen-2-one CAS Name: 6-chloro-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-phenylchromen-2-one Traditional Name: 6-chloro-7-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethoxy]-4-phenyl-coumarin Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)COC3=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)COC3=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O4/c28-23-14-22-21(20-4-2-1-3-5-20)15-27(33)35-24(22)16-25(23)34-18-26(32)31-12-10-30(11-13-31)17-19-6-8-29-9-7-19/h1-9,14-16H,10-13,17-18H2