2-[8-(aziridin-1-yl)-7-oxidanyl-octyl]pyrrolo[3,4-g]isoquinoline-4,9-dione

Systemtic Name: 2-[8-(aziridin-1-yl)-7-oxidanyl-octyl]pyrrolo[3,4-g]isoquinoline-4,9-dione Openeye Name: 2-[8-(aziridin-1-yl)-7-hydroxy-octyl]pyrrolo[3,4-g]isoquinoline-4,9-dione CAS Name: 2-[8-(1-aziridinyl)-7-hydroxyoctyl]pyrrolo[3,4-g]isoquinoline-4,9-dione IUPAC Name: 2-[8-(aziridin-1-yl)-7-hydroxyoctyl]pyrrolo[3,4-g]isoquinoline-4,9-dione Traditional Name: 2-(8-ethylenimino-7-hydroxy-octyl)pyrrol[3,4-g]isoquinoline-4,9-quinone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CC(CCCCCCN2C=C3C(=C2)C(=O)C4=C(C3=O)C=CN=C4)O

Isomeric SMILES

C1CN1CC(CCCCCCN2C=C3C(=C2)C(=O)C4=C(C3=O)C=CN=C4)O

InChI

InChI=1S/C21H25N3O3/c25-15(12-23-9-10-23)5-3-1-2-4-8-24-13-18-19(14-24)21(27)17-11-22-7-6-16(17)20(18)26/h6-7,11,13-15,25H,1-5,8-10,12H2