1-butyl-3-(3-cyanophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]urea

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]urea Openeye Name: 1-butyl-3-(3-cyanophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]urea CAS Name: 1-butyl-3-(3-cyanophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]propyl]urea IUPAC Name: 1-butyl-3-(3-cyanophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea Traditional Name: 1-butyl-3-(3-cyanophenyl)-1-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)propyl]urea Formula: C31H33N5O3 MolecularWeight: 523.62542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C31H33N5O3/c1-4-7-19-35(31(38)33-23-12-10-11-22(20-23)21-32)28(5-2)29-34-27-14-9-8-13-26(27)30(37)36(29)24-15-17-25(18-16-24)39-6-3/h8-18,20,28H,4-7,19H2,1-3H3,(H,33,38)