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

Systemtic Name: methyl 3-[2-[1-[(3-cyanophenyl)carbamoyl-hexyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[1-[(3-cyanophenyl)carbamoyl-hexyl-amino]propyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[1-[[(3-cyanoanilino)-oxomethyl]-hexylamino]propyl]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-[(3-cyanophenyl)carbamoyl-hexylamino]propyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[1-[(3-cyanophenyl)carbamoyl-hexyl-amino]propyl]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C29H35N5O4 MolecularWeight: 517.6193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C29H35N5O4/c1-4-6-7-10-17-33(29(37)31-22-13-11-12-21(19-22)20-30)25(5-2)27-32-24-15-9-8-14-23(24)28(36)34(27)18-16-26(35)38-3/h8-9,11-15,19,25H,4-7,10,16-18H2,1-3H3,(H,31,37)