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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H27ClN2O2 MolecularWeight: 410.93638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O2/c1-16(2)21-14-22-18(12-24(28)29-23(22)11-17(21)3)15-26-7-9-27(10-8-26)20-6-4-5-19(25)13-20/h4-6,11-14,16H,7-10,15H2,1-3H3