5,8-bis(azanyl)-3-oxidanyl-3-[(phenylmethyl)amino]octan-4-one; 2-quinolin-2-yloxyquinoline

Systemtic Name: 5,8-bis(azanyl)-3-oxidanyl-3-[(phenylmethyl)amino]octan-4-one; 2-quinolin-2-yloxyquinoline Openeye Name: 5,8-diamino-3-(benzylamino)-3-hydroxy-octan-4-one; 2-(2-quinolyloxy)quinoline CAS Name: 5,8-diamino-3-hydroxy-3-[(phenylmethyl)amino]-4-octanone; 2-(2-quinolinyloxy)quinoline IUPAC Name: 5,8-diamino-3-(benzylamino)-3-hydroxyoctan-4-one; 2-quinolin-2-yloxyquinoline Traditional Name: 5,8-diamino-3-(benzylamino)-3-hydroxy-octan-4-one; 2-(2-quinolyloxy)quinoline Formula: C33H37N5O3 MolecularWeight: 551.67858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(CCCN)N)(NCC1=CC=CC=C1)O.C1=CC=C2C(=C1)C=CC(=N2)OC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)C(CCCN)N)(NCC1=CC=CC=C1)O.C1=CC=C2C(=C1)C=CC(=N2)OC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H12N2O.C15H25N3O2/c1-3-7-15-13(5-1)9-11-17(19-15)21-18-12-10-14-6-2-4-8-16(14)20-18;1-2-15(20,14(19)13(17)9-6-10-16)18-11-12-7-4-3-5-8-12/h1-12H;3-5,7-8,13,18,20H,2,6,9-11,16-17H2,1H3