7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one; ethanedioic acid

Systemtic Name: 7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one; ethanedioic acid Openeye Name: 7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one; oxalic acid CAS Name: 7,8-dimethyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one; oxalic acid IUPAC Name: 7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one; oxalic acid Traditional Name: 7,8-dimethyl-4-[(4-phenylpiperazino)methyl]coumarin; oxalic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC=C4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC=C4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24N2O2.C2H2O4/c1-16-8-9-20-18(14-21(25)26-22(20)17(16)2)15-23-10-12-24(13-11-23)19-6-4-3-5-7-19;3-1(4)2(5)6/h3-9,14H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)