2,5-bis(azanyl)-N-[1-[2-(4-methylphenyl)ethylamino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide

Systemtic Name: 2,5-bis(azanyl)-N-[1-[2-(4-methylphenyl)ethylamino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide Openeye Name: 2,5-diamino-N-[2-oxo-2-[2-(p-tolyl)ethylamino]-1-(3-quinolylmethyl)ethyl]pentanamide CAS Name: 2,5-diamino-N-[1-[2-(4-methylphenyl)ethylamino]-1-oxo-3-(3-quinolinyl)propan-2-yl]pentanamide IUPAC Name: 2,5-diamino-N-[1-[2-(4-methylphenyl)ethylamino]-1-oxo-3-quinolin-3-ylpropan-2-yl]pentanamide Traditional Name: 2,5-diamino-N-[2-keto-2-[2-(p-tolyl)ethylamino]-1-(3-quinolylmethyl)ethyl]valeramide Formula: C26H33N5O2 MolecularWeight: 447.57252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C(CC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C(CC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

InChI

InChI=1S/C26H33N5O2/c1-18-8-10-19(11-9-18)12-14-29-26(33)24(31-25(32)22(28)6-4-13-27)16-20-15-21-5-2-3-7-23(21)30-17-20/h2-3,5,7-11,15,17,22,24H,4,6,12-14,16,27-28H2,1H3,(H,29,33)(H,31,32)