2-[2-(azepan-1-yl)ethyl]-8-chloranyl-4-propan-2-yl-pyrrolo[3,4-c]quinoline-1,3-dione

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-8-chloranyl-4-propan-2-yl-pyrrolo[3,4-c]quinoline-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)ethyl]-8-chloro-4-isopropyl-pyrrolo[3,4-c]quinoline-1,3-dione CAS Name: 2-[2-(1-azepanyl)ethyl]-8-chloro-4-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-8-chloro-4-propan-2-ylpyrrolo[3,4-c]quinoline-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)ethyl]-8-chloro-4-isopropyl-pyrrolo[3,4-c]quinoline-1,3-quinone Formula: C22H26ClN3O2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=C3C=C(C=CC3=N1)Cl)C(=O)N(C2=O)CCN4CCCCCC4

Isomeric SMILES

CC(C)C1=C2C(=C3C=C(C=CC3=N1)Cl)C(=O)N(C2=O)CCN4CCCCCC4

InChI

InChI=1S/C22H26ClN3O2/c1-14(2)20-19-18(16-13-15(23)7-8-17(16)24-20)21(27)26(22(19)28)12-11-25-9-5-3-4-6-10-25/h7-8,13-14H,3-6,9-12H2,1-2H3