5-[[3-[[[3-cyano-5-(trifluoromethyl)phenyl]methyl-(1-methylpyrazol-3-yl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-ethyl-amino]pentanoic acid hydrochloride

Systemtic Name: 5-[[3-[[[3-cyano-5-(trifluoromethyl)phenyl]methyl-(1-methylpyrazol-3-yl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-ethyl-amino]pentanoic acid hydrochloride Openeye Name: 5-[[7-[[[3-cyano-5-(trifluoromethyl)phenyl]methyl-(1-methylpyrazol-3-yl)amino]methyl]tetralin-6-yl]-ethyl-amino]pentanoic acid hydrochloride CAS Name: 5-[[3-[[[3-cyano-5-(trifluoromethyl)phenyl]methyl-(1-methyl-3-pyrazolyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-ethylamino]pentanoic acid hydrochloride IUPAC Name: 5-[[3-[[[3-cyano-5-(trifluoromethyl)phenyl]methyl-(1-methylpyrazol-3-yl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-ethylamino]pentanoic acid hydrochloride Traditional Name: 5-[[7-[[[3-cyano-5-(trifluoromethyl)benzyl]-(1-methylpyrazol-3-yl)amino]methyl]tetralin-6-yl]-ethyl-amino]valeric acid hydrochloride Formula: C31H37ClF3N5O2 MolecularWeight: 604.10599

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC(=O)O)C1=C(C=C2CCCCC2=C1)CN(CC3=CC(=CC(=C3)C#N)C(F)(F)F)C4=NN(C=C4)C.Cl

Isomeric SMILES

CCN(CCCCC(=O)O)C1=C(C=C2CCCCC2=C1)CN(CC3=CC(=CC(=C3)C#N)C(F)(F)F)C4=NN(C=C4)C.Cl

InChI

InChI=1S/C31H36F3N5O2.ClH/c1-3-38(12-7-6-10-30(40)41)28-18-25-9-5-4-8-24(25)17-26(28)21-39(29-11-13-37(2)36-29)20-23-14-22(19-35)15-27(16-23)31(32,33)34;/h11,13-18H,3-10,12,20-21H2,1-2H3,(H,40,41);1H