7-methyl-6-propan-2-yl-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-(3-thenyl)piperazino]methyl]coumarin Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CSC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CSC=C4)C(C)C

InChI

InChI=1S/C23H28N2O2S/c1-16(2)20-12-21-19(11-23(26)27-22(21)10-17(20)3)14-25-7-5-24(6-8-25)13-18-4-9-28-15-18/h4,9-12,15-16H,5-8,13-14H2,1-3H3