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

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(4-heptoxyphenyl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(4-heptoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-[(4-heptoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(4-heptoxybenzoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[[4-(4-heptoxybenzoyl)piperazino]methyl]pyran-4-one Formula: C31H37ClN2O5 MolecularWeight: 553.08888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C31H37ClN2O5/c1-2-3-4-5-8-19-37-26-13-11-24(12-14-26)31(36)34-17-15-33(16-18-34)21-27-20-29(35)30(23-38-27)39-22-25-9-6-7-10-28(25)32/h6-7,9-14,20,23H,2-5,8,15-19,21-22H2,1H3