4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-piperonylpiperazino)methyl]coumarin Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

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