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

Systemtic Name: 3-(5-chloranyl-1-ethyl-indazol-3-yl)-4-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(5-chloro-1-ethyl-indazol-3-yl)-4-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(5-chloro-1-ethyl-3-indazolyl)-4-[1-[3-(1-pyrrolidinyl)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(5-chloro-1-ethylindazol-3-yl)-4-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(5-chloro-1-ethyl-indazol-3-yl)-4-[1-(3-pyrrolidinopropyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C28H28ClN5O2 MolecularWeight: 502.00722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Cl)C(=N1)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN6CCCC6

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Cl)C(=N1)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN6CCCC6

InChI

InChI=1S/C28H28ClN5O2/c1-2-34-23-11-10-18(29)16-20(23)26(31-34)25-24(27(35)30-28(25)36)21-17-33(22-9-4-3-8-19(21)22)15-7-14-32-12-5-6-13-32/h3-4,8-11,16-17H,2,5-7,12-15H2,1H3,(H,30,35,36)