3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-oxidanylidene-7-pyridin-3-yl-quinazolin-3-yl)phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-oxidanylidene-7-pyridin-3-yl-quinazolin-3-yl)phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-[4-oxo-7-(3-pyridyl)quinazolin-3-yl]phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-7-(3-pyridinyl)-3-quinazolinyl]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[4-keto-7-(3-pyridyl)quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C31H25N5O2 MolecularWeight: 499.5625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C31H25N5O2/c1-20-9-11-25(35-29(37)22-6-4-8-24(14-22)31(2,3)18-32)16-28(20)36-19-34-27-15-21(10-12-26(27)30(36)38)23-7-5-13-33-17-23/h4-17,19H,1-3H3,(H,35,37)