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2,5-bis(azanyl)-N-[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide

2,5-bis(azanyl)-N-[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide

Systemtic Name:2,5-bis(azanyl)-N-[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]pentanamide
Openeye Name:2,5-diamino-N-[2-(4-tert-butylanilino)-2-oxo-1-(3-quinolylmethyl)ethyl]pentanamide
CAS Name:2,5-diamino-N-[1-(4-tert-butylanilino)-1-oxo-3-(3-quinolinyl)propan-2-yl]pentanamide
IUPAC Name:2,5-diamino-N-[1-(4-tert-butylanilino)-1-oxo-3-quinolin-3-ylpropan-2-yl]pentanamide
Traditional Name:2,5-diamino-N-[2-(4-tert-butylanilino)-2-keto-1-(3-quinolylmethyl)ethyl]valeramide
Formula: C27H35N5O2
MolecularWeight: 461.5991
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H35N5O2/c1-27(2,3)20-10-12-21(13-11-20)31-26(34)24(32-25(33)22(29)8-6-14-28)16-18-15-19-7-4-5-9-23(19)30-17-18/h4-5,7,9-13,15,17,22,24H,6,8,14,16,28-29H2,1-3H3,(H,31,34)(H,32,33)


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