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

Systemtic Name: 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzamide CAS Name: 4-[[[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]amino]methyl]benzamide IUPAC Name: 4-[[(6-nitro-7-piperazin-1-ylquinazolin-4-yl)amino]methyl]benzamide Traditional Name: 4-[[(6-nitro-7-piperazino-quinazolin-4-yl)amino]methyl]benzamide Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O3/c21-19(28)14-3-1-13(2-4-14)11-23-20-15-9-18(27(29)30)17(10-16(15)24-12-25-20)26-7-5-22-6-8-26/h1-4,9-10,12,22H,5-8,11H2,(H2,21,28)(H,23,24,25)