(4-azanylquinazolin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)C

InChI

InChI=1S/C22H20N4O2/c1-14-7-8-15(2)26(14)17-11-9-16(10-12-17)22(27)28-13-20-24-19-6-4-3-5-18(19)21(23)25-20/h3-12H,13H2,1-2H3,(H2,23,24,25)