3-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-1-(phenylmethyl)-2H-quinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-1-(phenylmethyl)-2H-quinazolin-2-yl]benzenecarbonitrile Openeye Name: 3-[1-benzyl-4-oxo-3-(4-sec-butylphenyl)-2H-quinazolin-2-yl]benzonitrile CAS Name: 3-[3-(4-butan-2-ylphenyl)-4-oxo-1-(phenylmethyl)-2H-quinazolin-2-yl]benzonitrile IUPAC Name: 3-[1-benzyl-3-(4-butan-2-ylphenyl)-4-oxo-2H-quinazolin-2-yl]benzonitrile Traditional Name: 3-[1-benzyl-4-keto-3-(4-sec-butylphenyl)-2H-quinazolin-2-yl]benzonitrile Formula: C32H29N3O MolecularWeight: 471.59216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(N(C3=CC=CC=C3C2=O)CC4=CC=CC=C4)C5=CC=CC(=C5)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(N(C3=CC=CC=C3C2=O)CC4=CC=CC=C4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C32H29N3O/c1-3-23(2)26-16-18-28(19-17-26)35-31(27-13-9-12-25(20-27)21-33)34(22-24-10-5-4-6-11-24)30-15-8-7-14-29(30)32(35)36/h4-20,23,31H,3,22H2,1-2H3