3-[(4-chlorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Openeye Name: 3-[(4-chlorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one CAS Name: 3-[(4-chlorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Traditional Name: 3-(4-chlorobenzyl)-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Formula: C25H21ClN2O MolecularWeight: 400.90004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)Cl)C=C(C=C2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)Cl)C=C(C=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O/c1-27-24-15-12-20(9-5-8-19-6-3-2-4-7-19)16-22(24)18-28(25(27)29)17-21-10-13-23(26)14-11-21/h2-4,6-7,10-16H,8,17-18H2,1H3