2-[3-(2-dimethylaminoethylamino)propyl]-6-(octylamino)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(2-dimethylaminoethylamino)propyl]-6-(octylamino)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(2-dimethylaminoethylamino)propyl]-6-(octylamino)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(2-dimethylaminoethylamino)propyl]-6-(octylamino)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(2-dimethylaminoethylamino)propyl]-6-(octylamino)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(2-dimethylaminoethylamino)propyl]-6-(octylamino)benzo[de]isoquinoline-1,3-quinone Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCNCCN(C)C

Isomeric SMILES

CCCCCCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCNCCN(C)C

InChI

InChI=1S/C27H40N4O2/c1-4-5-6-7-8-9-17-29-24-15-14-23-25-21(24)12-10-13-22(25)26(32)31(27(23)33)19-11-16-28-18-20-30(2)3/h10,12-15,28-29H,4-9,11,16-20H2,1-3H3