2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-N-(2-nitrophenyl)propionamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H25N7O3/c1-15(22(30)25-18-8-4-5-9-19(18)29(31)32)28-12-10-27(11-13-28)14-20-24-17-7-3-2-6-16(17)21(23)26-20/h2-9,15H,10-14H2,1H3,(H,25,30)(H2,23,24,26)