5-[(4-tert-butylphenyl)methoxy]-2-[[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(6-chloronicotinoyl)piperazino]methyl]pyran-4-one Formula: C27H30ClN3O4 MolecularWeight: 495.9978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C27H30ClN3O4/c1-27(2,3)21-7-4-19(5-8-21)17-35-24-18-34-22(14-23(24)32)16-30-10-12-31(13-11-30)26(33)20-6-9-25(28)29-15-20/h4-9,14-15,18H,10-13,16-17H2,1-3H3