4-[[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]methyl]-3-fluoro-benzonitrile Formula: C21H21FN6 MolecularWeight: 376.430043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C#N)F)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C#N)F)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H21FN6/c22-18-11-15(12-23)5-6-16(18)13-27-7-9-28(10-8-27)14-20-25-19-4-2-1-3-17(19)21(24)26-20/h1-6,11H,7-10,13-14H2,(H2,24,25,26)