5-[(2-chlorophenyl)methoxy]-2-[[4-(1-ethanoylpiperidin-4-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(1-ethanoylpiperidin-4-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 2-[[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(1-acetyl-4-piperidinyl)-oxomethyl]-1-piperazinyl]methyl]-5-[(2-chlorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(1-acetylisonipecotoyl)piperazino]methyl]-5-(2-chlorobenzyl)oxy-pyran-4-one Formula: C25H30ClN3O5 MolecularWeight: 487.9758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H30ClN3O5/c1-18(30)28-8-6-19(7-9-28)25(32)29-12-10-27(11-13-29)15-21-14-23(31)24(17-33-21)34-16-20-4-2-3-5-22(20)26/h2-5,14,17,19H,6-13,15-16H2,1H3