2-[5-(aziridin-1-yl)-4-oxidanyl-pentyl]pyrrolo[3,4-g]isoquinoline-4,9-dione

Systemtic Name: 2-[5-(aziridin-1-yl)-4-oxidanyl-pentyl]pyrrolo[3,4-g]isoquinoline-4,9-dione Openeye Name: 2-[5-(aziridin-1-yl)-4-hydroxy-pentyl]pyrrolo[3,4-g]isoquinoline-4,9-dione CAS Name: 2-[5-(1-aziridinyl)-4-hydroxypentyl]pyrrolo[3,4-g]isoquinoline-4,9-dione IUPAC Name: 2-[5-(aziridin-1-yl)-4-hydroxypentyl]pyrrolo[3,4-g]isoquinoline-4,9-dione Traditional Name: 2-(5-ethylenimino-4-hydroxy-pentyl)pyrrol[3,4-g]isoquinoline-4,9-quinone Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CC(CCCN2C=C3C(=C2)C(=O)C4=C(C3=O)C=CN=C4)O

Isomeric SMILES

C1CN1CC(CCCN2C=C3C(=C2)C(=O)C4=C(C3=O)C=CN=C4)O

InChI

InChI=1S/C18H19N3O3/c22-12(9-20-6-7-20)2-1-5-21-10-15-16(11-21)18(24)14-8-19-4-3-13(14)17(15)23/h3-4,8,10-12,22H,1-2,5-7,9H2