6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2-thenyl)piperazino]methyl]coumarin Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CS4)C

InChI

InChI=1S/C21H24N2O2S/c1-15-10-19-17(12-21(24)25-20(19)11-16(15)2)13-22-5-7-23(8-6-22)14-18-4-3-9-26-18/h3-4,9-12H,5-8,13-14H2,1-2H3