molecular hydrogen; 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid; hydrochloride

Systemtic Name: molecular hydrogen; 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid; hydrochloride Openeye Name: molecular hydrogen; 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid; hydrochloride CAS Name: molecular hydrogen; 6-[(2-phenyl-4-quinazolinyl)amino]hexanoic acid; hydrochloride IUPAC Name: molecular hydrogen; 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid; hydrochloride Traditional Name: molecular hydrogen; 6-[(2-phenylquinazolin-4-yl)amino]hexanoic acid; hydrochloride Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

[HH].C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCCCC(=O)O.Cl

Isomeric SMILES

[HH].C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCCCC(=O)O.Cl

InChI

InChI=1S/C20H21N3O2.ClH.H2/c24-18(25)13-5-2-8-14-21-20-16-11-6-7-12-17(16)22-19(23-20)15-9-3-1-4-10-15;;/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,24,25)(H,21,22,23);2*1H