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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C(CC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C(CC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

InChI

InChI=1S/C26H33N5O2/c1-2-18-9-11-19(12-10-18)16-30-26(33)24(31-25(32)22(28)7-5-13-27)15-20-14-21-6-3-4-8-23(21)29-17-20/h3-4,6,8-12,14,17,22,24H,2,5,7,13,15-16,27-28H2,1H3,(H,30,33)(H,31,32)