methyl 4-[2-[1-[(3-chlorophenyl)carbamoyl-hexyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-[(3-chlorophenyl)carbamoyl-hexyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[(3-chlorophenyl)carbamoyl-hexyl-amino]propyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[[(3-chloroanilino)-oxomethyl]-hexylamino]propyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[(3-chlorophenyl)carbamoyl-hexylamino]propyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[1-[(3-chlorophenyl)carbamoyl-hexyl-amino]propyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C29H37ClN4O4 MolecularWeight: 541.08148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C29H37ClN4O4/c1-4-6-7-10-18-33(29(37)31-22-14-11-13-21(30)20-22)25(5-2)27-32-24-16-9-8-15-23(24)28(36)34(27)19-12-17-26(35)38-3/h8-9,11,13-16,20,25H,4-7,10,12,17-19H2,1-3H3,(H,31,37)