3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[(4-methyl-1-piperazinyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazino)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CN3CCN(CC3)C)O)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CN3CCN(CC3)C)O)C4=CC=CC=C4OC

InChI

InChI=1S/C23H30N2O4/c1-15-21(16-6-4-5-7-20(16)28-3)22(27)17-8-9-19(26)18(23(17)29-15)14-25-12-10-24(2)11-13-25/h4-7,18,23,27H,8-14H2,1-3H3