4-(4-oxidanylidenequinazolin-3-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]butanamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C29H27N5O2/c35-27(16-9-17-33-21-31-26-15-8-7-14-25(26)29(33)36)30-18-24-20-34(19-22-10-3-1-4-11-22)32-28(24)23-12-5-2-6-13-23/h1-8,10-15,20-21H,9,16-19H2,(H,30,35)