3-[1-(4-oxidanylbutyl)indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[1-(4-oxidanylbutyl)indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(4-hydroxybutyl)indazol-3-yl]-4-[1-(3-pyridyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-[1-(4-hydroxybutyl)-3-indazolyl]-4-[1-(3-pyridinyl)-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-[1-(4-hydroxybutyl)indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(4-hydroxybutyl)indazol-3-yl]-4-[1-(3-pyridyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C3=CN=CC=C3)C4=C(C(=O)NC4=O)C5=NN(C6=CC=CC=C65)CCCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C3=CN=CC=C3)C4=C(C(=O)NC4=O)C5=NN(C6=CC=CC=C65)CCCCO

InChI

InChI=1S/C28H23N5O3/c34-15-6-5-14-33-23-12-4-2-10-20(23)26(31-33)25-24(27(35)30-28(25)36)21-17-32(18-8-7-13-29-16-18)22-11-3-1-9-19(21)22/h1-4,7-13,16-17,34H,5-6,14-15H2,(H,30,35,36)