methyl 4-[[4-[(phenylmethyl)amino]quinazolin-2-yl]amino]benzoate hydrochloride

Systemtic Name: methyl 4-[[4-[(phenylmethyl)amino]quinazolin-2-yl]amino]benzoate hydrochloride Openeye Name: methyl 4-[[4-(benzylamino)quinazolin-2-yl]amino]benzoate hydrochloride CAS Name: 4-[[4-[(phenylmethyl)amino]-2-quinazolinyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(benzylamino)quinazolin-2-yl]amino]benzoate hydrochloride Traditional Name: 4-[[4-(benzylamino)quinazolin-2-yl]amino]benzoic acid methyl ester hydrochloride Formula: C23H21ClN4O2 MolecularWeight: 420.89144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H20N4O2.ClH/c1-29-22(28)17-11-13-18(14-12-17)25-23-26-20-10-6-5-9-19(20)21(27-23)24-15-16-7-3-2-4-8-16;/h2-14H,15H2,1H3,(H2,24,25,26,27);1H