molecular hydrogen; 1-[3-(quinazolin-4-ylamino)phenyl]ethanone; hydrochloride

Systemtic Name: molecular hydrogen; 1-[3-(quinazolin-4-ylamino)phenyl]ethanone; hydrochloride Openeye Name: molecular hydrogen; 1-[3-(quinazolin-4-ylamino)phenyl]ethanone; hydrochloride CAS Name: molecular hydrogen; 1-[3-(4-quinazolinylamino)phenyl]ethanone; hydrochloride IUPAC Name: molecular hydrogen; 1-[3-(quinazolin-4-ylamino)phenyl]ethanone; hydrochloride Traditional Name: molecular hydrogen; 1-[3-(quinazolin-4-ylamino)phenyl]ethanone; hydrochloride Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O.ClH.H2/c1-11(20)12-5-4-6-13(9-12)19-16-14-7-2-3-8-15(14)17-10-18-16;;/h2-10H,1H3,(H,17,18,19);2*1H