6-chloranyl-3,4-dimethyl-7-oxidanyl-8-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-3,4-dimethyl-7-oxidanyl-8-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]chromen-2-one Openeye Name: 8-[[(1-benzyl-4-piperidyl)amino]methyl]-6-chloro-7-hydroxy-3,4-dimethyl-chromen-2-one CAS Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 8-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-chloro-7-hydroxy-3,4-dimethylchromen-2-one Traditional Name: 8-[[(1-benzyl-4-piperidyl)amino]methyl]-6-chloro-7-hydroxy-3,4-dimethyl-coumarin Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNC3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNC3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27ClN2O3/c1-15-16(2)24(29)30-23-19(15)12-21(25)22(28)20(23)13-26-18-8-10-27(11-9-18)14-17-6-4-3-5-7-17/h3-7,12,18,26,28H,8-11,13-14H2,1-2H3