3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(3-pyridylmethylamino)quinazolin-2-yl]benzonitrile CAS Name: 3-[4-(3-pyridinylmethylamino)-2-quinazolinyl]benzonitrile IUPAC Name: 3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzonitrile Traditional Name: 3-[4-(3-pyridylmethylamino)quinazolin-2-yl]benzonitrile Formula: C21H15N5 MolecularWeight: 337.3773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC(=C3)C#N)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC(=C3)C#N)NCC4=CN=CC=C4

InChI

InChI=1S/C21H15N5/c22-12-15-5-3-7-17(11-15)20-25-19-9-2-1-8-18(19)21(26-20)24-14-16-6-4-10-23-13-16/h1-11,13H,14H2,(H,24,25,26)