[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Formula: C23H26N6O5 MolecularWeight: 466.48974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O5/c1-3-34-20-13-18(29(31)32)16(12-19(20)33-2)23(30)28-10-8-27(9-11-28)14-21-25-17-7-5-4-6-15(17)22(24)26-21/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,24,25,26)