7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one Openeye Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one Traditional Name: 7-[3-[4-(4-chlorobenzyl)piperazino]propoxy]-3,4-dimethyl-coumarin Formula: C25H29ClN2O3 MolecularWeight: 440.96236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H29ClN2O3/c1-18-19(2)25(29)31-24-16-22(8-9-23(18)24)30-15-3-10-27-11-13-28(14-12-27)17-20-4-6-21(26)7-5-20/h4-9,16H,3,10-15,17H2,1-2H3