2-(2,6-dimethylphenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2,6-dimethylphenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,6-dimethylphenyl)-4-[(4-ethylpiperazin-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(2,6-dimethylphenyl)-4-[(4-ethyl-1-piperazinyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,6-dimethylphenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,6-dimethylphenyl)-4-[(4-ethylpiperazino)methylene]isoquinoline-1,3-quinone Formula: C24H27N3O2 MolecularWeight: 389.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC=C4C)C

Isomeric SMILES

CCN1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC=C4C)C

InChI

InChI=1S/C24H27N3O2/c1-4-25-12-14-26(15-13-25)16-21-19-10-5-6-11-20(19)23(28)27(24(21)29)22-17(2)8-7-9-18(22)3/h5-11,16H,4,12-15H2,1-3H3