4-methyl-7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Traditional Name: 3-benzyl-7-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethoxy]-4-methyl-coumarin Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4/c1-21-25-8-7-24(18-27(25)36-29(34)26(21)17-22-5-3-2-4-6-22)35-20-28(33)32-15-13-31(14-16-32)19-23-9-11-30-12-10-23/h2-12,18H,13-17,19-20H2,1H3