3-[4-[(phenylmethyl)amino]quinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(phenylmethyl)amino]quinazolin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(benzylamino)quinazolin-2-yl]benzonitrile CAS Name: 3-[4-[(phenylmethyl)amino]-2-quinazolinyl]benzonitrile IUPAC Name: 3-[4-(benzylamino)quinazolin-2-yl]benzonitrile Traditional Name: 3-[4-(benzylamino)quinazolin-2-yl]benzonitrile Formula: C22H16N4 MolecularWeight: 336.38924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H16N4/c23-14-17-9-6-10-18(13-17)21-25-20-12-5-4-11-19(20)22(26-21)24-15-16-7-2-1-3-8-16/h1-13H,15H2,(H,24,25,26)