[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-2-32-19-8-7-15(13-18(19)28(30)31)22(29)27-11-9-26(10-12-27)14-20-24-17-6-4-3-5-16(17)21(23)25-20/h3-8,13H,2,9-12,14H2,1H3,(H2,23,24,25)