2,6-bis(azanyl)-N-[1-[(4-ethylphenyl)methylamino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]hexanamide

Systemtic Name: 2,6-bis(azanyl)-N-[1-[(4-ethylphenyl)methylamino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]hexanamide Openeye Name: 2,6-diamino-N-[2-[(4-ethylphenyl)methylamino]-2-oxo-1-(3-quinolylmethyl)ethyl]hexanamide CAS Name: 2,6-diamino-N-[1-[(4-ethylphenyl)methylamino]-1-oxo-3-(3-quinolinyl)propan-2-yl]hexanamide IUPAC Name: 2,6-diamino-N-[1-[(4-ethylphenyl)methylamino]-1-oxo-3-quinolin-3-ylpropan-2-yl]hexanamide Traditional Name: 2,6-diamino-N-[2-[(4-ethylbenzyl)amino]-2-keto-1-(3-quinolylmethyl)ethyl]hexanamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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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(CCCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O2/c1-2-19-10-12-20(13-11-19)17-31-27(34)25(32-26(33)23(29)8-5-6-14-28)16-21-15-22-7-3-4-9-24(22)30-18-21/h3-4,7,9-13,15,18,23,25H,2,5-6,8,14,16-17,28-29H2,1H3,(H,31,34)(H,32,33)