6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]chromen-2-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-6-chloro-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-chloro-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-6-chloro-7-hydroxy-4-methyl-coumarin Formula: C23H23ClN2O4 MolecularWeight: 426.89272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN2O4/c1-15-17-11-19(24)20(27)13-21(17)30-23(29)18(15)12-22(28)26-9-7-25(8-10-26)14-16-5-3-2-4-6-16/h2-6,11,13,27H,7-10,12,14H2,1H3