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

Systemtic Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; hydrochloride Openeye Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; hydrochloride CAS Name: molecular hydrogen; 2-[(2-phenyl-4-quinazolinyl)amino]butanoic acid; hydrochloride IUPAC Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; hydrochloride Traditional Name: molecular hydrogen; 2-[(2-phenylquinazolin-4-yl)amino]butyric acid; hydrochloride Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl

Isomeric SMILES

[HH].CCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H17N3O2.ClH.H2/c1-2-14(18(22)23)19-17-13-10-6-7-11-15(13)20-16(21-17)12-8-4-3-5-9-12;;/h3-11,14H,2H2,1H3,(H,22,23)(H,19,20,21);2*1H