5,6-dimethoxy-2-[8-[4-(phenylmethyl)piperazin-1-yl]octyl]-2,3-dihydro-1H-indene-4,7-dione

Systemtic Name: 5,6-dimethoxy-2-[8-[4-(phenylmethyl)piperazin-1-yl]octyl]-2,3-dihydro-1H-indene-4,7-dione Openeye Name: 2-[8-(4-benzylpiperazin-1-yl)octyl]-5,6-dimethoxy-2,3-dihydro-1H-indene-4,7-dione CAS Name: 5,6-dimethoxy-2-[8-[4-(phenylmethyl)-1-piperazinyl]octyl]-2,3-dihydro-1H-indene-4,7-dione IUPAC Name: 2-[8-(4-benzylpiperazin-1-yl)octyl]-5,6-dimethoxy-2,3-dihydro-1H-indene-4,7-dione Traditional Name: 2-[8-(4-benzylpiperazino)octyl]-5,6-dimethoxy-2,3-dihydro-1H-indene-4,7-quinone Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C1=O)CC(C2)CCCCCCCCN3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(C1=O)CC(C2)CCCCCCCCN3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C30H42N2O4/c1-35-29-27(33)25-20-24(21-26(25)28(34)30(29)36-2)14-8-5-3-4-6-11-15-31-16-18-32(19-17-31)22-23-12-9-7-10-13-23/h7,9-10,12-13,24H,3-6,8,11,14-22H2,1-2H3