4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzonitrile CAS Name: 4-[[[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]amino]methyl]benzonitrile IUPAC Name: 4-[[(6-nitro-7-piperazin-1-ylquinazolin-4-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(6-nitro-7-piperazino-quinazolin-4-yl)amino]methyl]benzonitrile Formula: C20H19N7O2 MolecularWeight: 389.41056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O2/c21-11-14-1-3-15(4-2-14)12-23-20-16-9-19(27(28)29)18(10-17(16)24-13-25-20)26-7-5-22-6-8-26/h1-4,9-10,13,22H,5-8,12H2,(H,23,24,25)