4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-phenethyl-benzamide

Systemtic Name: 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-phenethyl-benzamide Openeye Name: 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-N-phenethyl-benzamide CAS Name: 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]propyl]-N-phenethylbenzamide IUPAC Name: 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-phenethylbenzamide Traditional Name: 4-butyl-N-[1-[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]propyl]-N-phenethyl-benzamide Formula: C36H36ClN3O2 MolecularWeight: 578.14294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C(CC)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C(CC)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl

InChI

InChI=1S/C36H36ClN3O2/c1-3-5-11-27-16-18-28(19-17-27)35(41)39(25-24-26-12-7-6-8-13-26)33(4-2)34-38-32-15-10-9-14-31(32)36(42)40(34)30-22-20-29(37)21-23-30/h6-10,12-23,33H,3-5,11,24-25H2,1-2H3