4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(2-methoxy-5-methyl-benzyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C25H30N2O3/c1-17-5-8-23(29-4)21(13-17)16-27-11-9-26(10-12-27)15-20-14-24(28)30-25-19(3)18(2)6-7-22(20)25/h5-8,13-14H,9-12,15-16H2,1-4H3