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

Systemtic Name: 3-(1-isoquinolin-4-ylindol-3-yl)-4-[1-(3-oxidanylpropyl)indazol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-(3-hydroxypropyl)indazol-3-yl]-4-[1-(4-isoquinolyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-[1-(3-hydroxypropyl)-3-indazolyl]-4-[1-(4-isoquinolinyl)-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-[1-(3-hydroxypropyl)indazol-3-yl]-4-(1-isoquinolin-4-ylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-hydroxypropyl)indazol-3-yl]-4-[1-(4-isoquinolyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C31H23N5O3 MolecularWeight: 513.54602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2N3C=C(C4=CC=CC=C43)C5=C(C(=O)NC5=O)C6=NN(C7=CC=CC=C76)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2N3C=C(C4=CC=CC=C43)C5=C(C(=O)NC5=O)C6=NN(C7=CC=CC=C76)CCCO

InChI

InChI=1S/C31H23N5O3/c37-15-7-14-36-25-13-6-4-11-22(25)29(34-36)28-27(30(38)33-31(28)39)23-18-35(24-12-5-3-10-21(23)24)26-17-32-16-19-8-1-2-9-20(19)26/h1-6,8-13,16-18,37H,7,14-15H2,(H,33,38,39)