3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzenecarbonitrile Openeye Name: 3-[4-(3-pyridylmethylamino)quinazolin-6-yl]benzonitrile CAS Name: 3-[4-(3-pyridinylmethylamino)-6-quinazolinyl]benzonitrile IUPAC Name: 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile Traditional Name: 3-[4-(3-pyridylmethylamino)quinazolin-6-yl]benzonitrile Formula: C21H15N5 MolecularWeight: 337.3773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NCC4=CN=CC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NCC4=CN=CC=C4)C#N

InChI

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