2-(5-chloranyl-2-methoxy-phenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-4-[(4-ethylpiperazin-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-methoxyphenyl)-4-[(4-ethyl-1-piperazinyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-4-[(4-ethylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-4-[(4-ethylpiperazino)methylene]isoquinoline-1,3-quinone Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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(=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3/c1-3-25-10-12-26(13-11-25)15-19-17-6-4-5-7-18(17)22(28)27(23(19)29)20-14-16(24)8-9-21(20)30-2/h4-9,14-15H,3,10-13H2,1-2H3