2-[2-[4-(2-ethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(2-ethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2-ethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2-ethylphenyl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2-ethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-ethylphenyl)piperazino]ethyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C(C3=O)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C(C3=O)(C)C

InChI

InChI=1S/C25H31N3O2/c1-4-19-9-5-8-12-22(19)27-16-13-26(14-17-27)15-18-28-23(29)20-10-6-7-11-21(20)25(2,3)24(28)30/h5-12H,4,13-18H2,1-3H3