[4-[(3R)-4-[5-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-piperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-[(3R)-4-[5-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-piperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[(3R)-4-[5-(1,3-benzodioxol-5-ylmethyl)indan-1-yl]-3-methyl-piperazin-1-yl]-1-piperidyl]-(o-tolyl)methanone CAS Name: [4-[(3R)-4-[5-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1-piperazinyl]-1-piperidinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[(3R)-4-[5-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[(3R)-3-methyl-4-(5-piperonylindan-1-yl)piperazino]piperidino]-(o-tolyl)methanone Formula: C35H41N3O3 MolecularWeight: 551.71834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2CCC3=C2C=CC(=C3)CC4=CC5=C(C=C4)OCO5)C6CCN(CC6)C(=O)C7=CC=CC=C7C

Isomeric SMILES

C[C@@H]1CN(CCN1C2CCC3=C2C=CC(=C3)CC4=CC5=C(C=C4)OCO5)C6CCN(CC6)C(=O)C7=CC=CC=C7C

InChI

InChI=1S/C35H41N3O3/c1-24-5-3-4-6-30(24)35(39)36-15-13-29(14-16-36)37-17-18-38(25(2)22-37)32-11-9-28-20-26(7-10-31(28)32)19-27-8-12-33-34(21-27)41-23-40-33/h3-8,10,12,20-21,25,29,32H,9,11,13-19,22-23H2,1-2H3/t25-,32?/m1/s1