N-(4-nitrophenyl)-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine

Systemtic Name: N-(4-nitrophenyl)-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine Openeye Name: N-(4-nitrophenyl)-N'-[2-(3-pyridyl)quinazolin-4-yl]ethane-1,2-diamine CAS Name: N-(4-nitrophenyl)-N'-[2-(3-pyridinyl)-4-quinazolinyl]ethane-1,2-diamine IUPAC Name: N-(4-nitrophenyl)-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine Traditional Name: 2-(4-nitroanilino)ethyl-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O2/c28-27(29)17-9-7-16(8-10-17)23-12-13-24-21-18-5-1-2-6-19(18)25-20(26-21)15-4-3-11-22-14-15/h1-11,14,23H,12-13H2,(H,24,25,26)