1-[3-(diethylamino)propylamino]-4-methyl-6-oxidanyl-naphtho[2,3-g]isoquinoline-5,12-dione

Systemtic Name: 1-[3-(diethylamino)propylamino]-4-methyl-6-oxidanyl-naphtho[2,3-g]isoquinoline-5,12-dione Openeye Name: 1-[3-(diethylamino)propylamino]-6-hydroxy-4-methyl-naphtho[2,3-g]isoquinoline-5,12-dione CAS Name: 1-[3-(diethylamino)propylamino]-6-hydroxy-4-methylnaphtho[2,3-g]isoquinoline-5,12-dione IUPAC Name: 1-[3-(diethylamino)propylamino]-6-hydroxy-4-methylnaphtho[2,3-g]isoquinoline-5,12-dione Traditional Name: 1-[3-(diethylamino)propylamino]-6-hydroxy-4-methyl-naphth[2,3-g]isoquinoline-5,12-quinone Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC=C(C2=C1C(=O)C3=CC4=CC=CC=C4C(=C3C2=O)O)C

Isomeric SMILES

CCN(CC)CCCNC1=NC=C(C2=C1C(=O)C3=CC4=CC=CC=C4C(=C3C2=O)O)C

InChI

InChI=1S/C25H27N3O3/c1-4-28(5-2)12-8-11-26-25-21-19(15(3)14-27-25)24(31)20-18(23(21)30)13-16-9-6-7-10-17(16)22(20)29/h6-7,9-10,13-14,29H,4-5,8,11-12H2,1-3H3,(H,26,27)