2,5-bis(azanyl)-N-[1-(3,3-dimethylbutylamino)-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide

Systemtic Name: 2,5-bis(azanyl)-N-[1-(3,3-dimethylbutylamino)-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide Openeye Name: 2,5-diamino-N-[2-(3,3-dimethylbutylamino)-2-oxo-1-(3-quinolylmethyl)ethyl]pentanamide CAS Name: 2,5-diamino-N-[1-(3,3-dimethylbutylamino)-1-oxo-3-(3-quinolinyl)propan-2-yl]pentanamide IUPAC Name: 2,5-diamino-N-[1-(3,3-dimethylbutylamino)-1-oxo-3-quinolin-3-ylpropan-2-yl]pentanamide Traditional Name: 2,5-diamino-N-[2-(3,3-dimethylbutylamino)-2-keto-1-(3-quinolylmethyl)ethyl]valeramide Formula: C23H35N5O2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C(CC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCN)N

Isomeric SMILES

CC(C)(C)CCNC(=O)C(CC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCN)N

InChI

InChI=1S/C23H35N5O2/c1-23(2,3)10-12-26-22(30)20(28-21(29)18(25)8-6-11-24)14-16-13-17-7-4-5-9-19(17)27-15-16/h4-5,7,9,13,15,18,20H,6,8,10-12,14,24-25H2,1-3H3,(H,26,30)(H,28,29)