3-[(4-methylphenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one Openeye Name: 6-(3-phenylprop-1-ynyl)-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-6-(3-phenylprop-1-ynyl)-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one Traditional Name: 3-(4-methylbenzyl)-6-(3-phenylprop-1-ynyl)quinazolin-4-one Formula: C25H20N2O MolecularWeight: 364.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O/c1-19-10-12-22(13-11-19)17-27-18-26-24-15-14-21(16-23(24)25(27)28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-16,18H,8,17H2,1H3