2-[3-(3-azanylpropylamino)butyl]-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[3-(3-azanylpropylamino)butyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[3-(3-aminopropylamino)butyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[3-(3-aminopropylamino)butyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[3-(3-aminopropylamino)butyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[3-(3-aminopropylamino)butyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C)NCCCN

Isomeric SMILES

CC(CCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C)NCCCN

InChI

InChI=1S/C18H27N3O2/c1-13(20-11-6-10-19)9-12-21-16(22)14-7-4-5-8-15(14)18(2,3)17(21)23/h4-5,7-8,13,20H,6,9-12,19H2,1-3H3