3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propyl butanoate

Systemtic Name: 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propyl butanoate Openeye Name: 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propyl butanoate CAS Name: butanoic acid 3-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]propyl ester IUPAC Name: 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propyl butanoate Traditional Name: butyric acid 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)OCCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-2-6-19(26)27-14-5-13-23-21-17-7-3-4-8-18(17)24-20(25-21)15-9-11-16(22)12-10-15/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,24,25)