methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride

Systemtic Name: methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Openeye Name: methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride CAS Name: molecular hydrogen; 3-[(2-phenyl-4-quinazolinyl)amino]benzoic acid methyl ester; hydrochloride IUPAC Name: methyl 3-[(2-phenylquinazolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Traditional Name: molecular hydrogen; 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid methyl ester; hydrochloride Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

[HH].COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4.Cl

Isomeric SMILES

[HH].COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H17N3O2.ClH.H2/c1-27-22(26)16-10-7-11-17(14-16)23-21-18-12-5-6-13-19(18)24-20(25-21)15-8-3-2-4-9-15;;/h2-14H,1H3,(H,23,24,25);2*1H