3-[4-(piperidin-4-ylamino)quinazolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(piperidin-4-ylamino)quinazolin-6-yl]benzenecarbonitrile Openeye Name: 3-[4-(4-piperidylamino)quinazolin-6-yl]benzonitrile CAS Name: 3-[4-(4-piperidinylamino)-6-quinazolinyl]benzonitrile IUPAC Name: 3-[4-(piperidin-4-ylamino)quinazolin-6-yl]benzonitrile Traditional Name: 3-[4-(4-piperidylamino)quinazolin-6-yl]benzonitrile Formula: C20H19N5 MolecularWeight: 329.39836

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC=NC3=C2C=C(C=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CNCCC1NC2=NC=NC3=C2C=C(C=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H19N5/c21-12-14-2-1-3-15(10-14)16-4-5-19-18(11-16)20(24-13-23-19)25-17-6-8-22-9-7-17/h1-5,10-11,13,17,22H,6-9H2,(H,23,24,25)