2-[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]-2-phenyl-ethanenitrile

Systemtic Name: 2-[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]-2-phenyl-ethanenitrile Openeye Name: 2-[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]-2-phenyl-acetonitrile CAS Name: 2-[[6-nitro-7-(1-piperazinyl)-2-quinazolinyl]amino]-2-phenylacetonitrile IUPAC Name: 2-[(6-nitro-7-piperazin-1-ylquinazolin-2-yl)amino]-2-phenylacetonitrile Traditional Name: 2-[(6-nitro-7-piperazino-quinazolin-2-yl)amino]-2-phenyl-acetonitrile Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NC(C#N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NC(C#N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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