N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-quinazolin-4-amine; molecular hydrogen; hydrochloride

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-quinazolin-4-amine; molecular hydrogen; hydrochloride Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-quinazolin-4-amine; molecular hydrogen; hydrochloride CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-4-quinazolinamine; molecular hydrogen; hydrochloride IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylquinazolin-4-amine; molecular hydrogen; hydrochloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(2-phenylquinazolin-4-yl)amine; molecular hydrogen; hydrochloride Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

[HH].C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5.Cl

Isomeric SMILES

[HH].C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5.Cl

InChI

InChI=1S/C22H17N3O2.ClH.H2/c1-2-6-15(7-3-1)21-24-18-9-5-4-8-17(18)22(25-21)23-16-10-11-19-20(14-16)27-13-12-26-19;;/h1-11,14H,12-13H2,(H,23,24,25);2*1H