7-methyl-5-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-propyl-chromen-2-one

Systemtic Name: 7-methyl-5-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-propyl-chromen-2-one Openeye Name: 7-methyl-5-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethoxy]-4-propyl-chromen-2-one CAS Name: 7-methyl-5-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethoxy]-4-propyl-1-benzopyran-2-one IUPAC Name: 7-methyl-5-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-4-propylchromen-2-one Traditional Name: 5-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethoxy]-7-methyl-4-propyl-coumarin Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

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