6-[bis(2-hydroxyethyl)amino]-2-butyl-7-(pyridin-2-ylmethylamino)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-[bis(2-hydroxyethyl)amino]-2-butyl-7-(pyridin-2-ylmethylamino)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-[bis(2-hydroxyethyl)amino]-2-butyl-7-(2-pyridylmethylamino)benzo[de]isoquinoline-1,3-dione CAS Name: 6-[bis(2-hydroxyethyl)amino]-2-butyl-7-(2-pyridinylmethylamino)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-[bis(2-hydroxyethyl)amino]-2-butyl-7-(pyridin-2-ylmethylamino)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-[bis(2-hydroxyethyl)amino]-2-butyl-7-(2-pyridylmethylamino)benzo[de]isoquinoline-1,3-quinone Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)NCC4=CC=CC=N4)N(CCO)CCO)C1=O

Isomeric SMILES

CCCCN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)NCC4=CC=CC=N4)N(CCO)CCO)C1=O

InChI

InChI=1S/C26H30N4O4/c1-2-3-12-30-25(33)19-7-9-21(28-17-18-6-4-5-11-27-18)24-22(29(13-15-31)14-16-32)10-8-20(23(19)24)26(30)34/h4-11,28,31-32H,2-3,12-17H2,1H3