3-(5-chloranyl-1-ethyl-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(5-chloranyl-1-ethyl-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(5-chloro-1-ethyl-indol-3-yl)-4-[1-(3-morpholinopropyl)indazol-3-yl]pyrrole-2,5-dione CAS Name: 3-(5-chloro-1-ethyl-3-indolyl)-4-[1-[3-(4-morpholinyl)propyl]-3-indazolyl]pyrrole-2,5-dione IUPAC Name: 3-(5-chloro-1-ethylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(5-chloro-1-ethyl-indol-3-yl)-4-[1-(3-morpholinopropyl)indazol-3-yl]-3-pyrroline-2,5-quinone Formula: C28H28ClN5O3 MolecularWeight: 518.00662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=NN(C5=CC=CC=C54)CCCN6CCOCC6

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=NN(C5=CC=CC=C54)CCCN6CCOCC6

InChI

InChI=1S/C28H28ClN5O3/c1-2-33-17-21(20-16-18(29)8-9-22(20)33)24-25(28(36)30-27(24)35)26-19-6-3-4-7-23(19)34(31-26)11-5-10-32-12-14-37-15-13-32/h3-4,6-9,16-17H,2,5,10-15H2,1H3,(H,30,35,36)