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

Systemtic Name: 4-[[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]methyl]benzonitrile Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6/c22-13-16-5-7-17(8-6-16)14-26-9-11-27(12-10-26)15-20-24-19-4-2-1-3-18(19)21(23)25-20/h1-8H,9-12,14-15H2,(H2,23,24,25)