8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-4-pentyl-chromen-2-one

Systemtic Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-4-pentyl-chromen-2-one Openeye Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-4-pentyl-chromen-2-one CAS Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one IUPAC Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-4-pentylchromen-2-one Traditional Name: 4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazino)propyl]-5,7-dimethoxy-coumarin Formula: C36H42N2O6 MolecularWeight: 598.72848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC)OC

Isomeric SMILES

CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC)OC

InChI

InChI=1S/C36H42N2O6/c1-4-5-7-10-26-22-33(39)44-36-34(26)31(40-2)23-32(41-3)35(36)28(25-13-14-29-30(21-25)43-24-42-29)15-16-37-17-19-38(20-18-37)27-11-8-6-9-12-27/h6,8-9,11-14,21-23,28H,4-5,7,10,15-20,24H2,1-3H3