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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)CC)C2=O

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)CC)C2=O

InChI

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