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

Systemtic Name: 4-butyl-7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Openeye Name: 4-butyl-7-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethoxy]chromen-2-one CAS Name: 4-butyl-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethoxy]coumarin Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H29N3O4/c1-2-3-4-20-15-25(30)32-23-16-21(5-6-22(20)23)31-18-24(29)28-13-11-27(12-14-28)17-19-7-9-26-10-8-19/h5-10,15-16H,2-4,11-14,17-18H2,1H3