3-[[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethylamino]methyl]-6,7-dimethyl-chromen-4-one

Systemtic Name: 3-[[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethylamino]methyl]-6,7-dimethyl-chromen-4-one Openeye Name: 3-[[2-[4-(4-chlorobenzoyl)-1-piperidyl]ethylamino]methyl]-6,7-dimethyl-chromen-4-one CAS Name: 3-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]ethylamino]methyl]-6,7-dimethyl-1-benzopyran-4-one IUPAC Name: 3-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethylamino]methyl]-6,7-dimethylchromen-4-one Traditional Name: 3-[[2-[4-(4-chlorobenzoyl)piperidino]ethylamino]methyl]-6,7-dimethyl-chromone Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=CO2)CNCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=CO2)CNCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H29ClN2O3/c1-17-13-23-24(14-18(17)2)32-16-21(26(23)31)15-28-9-12-29-10-7-20(8-11-29)25(30)19-3-5-22(27)6-4-19/h3-6,13-14,16,20,28H,7-12,15H2,1-2H3