5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-[(4-phenyl-1-piperazinyl)methyl]-4-pyranone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-[(4-phenylpiperazino)methyl]pyran-4-one Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4/c28-22-16-21(17-25-12-14-26(15-13-25)20-8-4-3-5-9-20)30-18-23(22)31-19-24(29)27-10-6-1-2-7-11-27/h3-5,8-9,16,18H,1-2,6-7,10-15,17,19H2