2,6-bis(azanyl)-N-[1-(2-methylpropylamino)-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]hexanamide

Systemtic Name: 2,6-bis(azanyl)-N-[1-(2-methylpropylamino)-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]hexanamide Openeye Name: 2,6-diamino-N-[2-(isobutylamino)-2-oxo-1-(3-quinolylmethyl)ethyl]hexanamide CAS Name: 2,6-diamino-N-[1-(2-methylpropylamino)-1-oxo-3-(3-quinolinyl)propan-2-yl]hexanamide IUPAC Name: 2,6-diamino-N-[1-(2-methylpropylamino)-1-oxo-3-quinolin-3-ylpropan-2-yl]hexanamide Traditional Name: 2,6-diamino-N-[2-(isobutylamino)-2-keto-1-(3-quinolylmethyl)ethyl]hexanamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(CC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CNC(=O)C(CC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCCN)N

InChI

InChI=1S/C22H33N5O2/c1-15(2)13-26-22(29)20(27-21(28)18(24)8-5-6-10-23)12-16-11-17-7-3-4-9-19(17)25-14-16/h3-4,7,9,11,14-15,18,20H,5-6,8,10,12-13,23-24H2,1-2H3,(H,26,29)(H,27,28)