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

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-[5-nitro-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(5-nitro-2-pyrrolidino-phenyl)methanone Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H27N7O3/c25-23-18-5-1-2-6-20(18)26-22(27-23)16-28-11-13-30(14-12-28)24(32)19-15-17(31(33)34)7-8-21(19)29-9-3-4-10-29/h1-2,5-8,15H,3-4,9-14,16H2,(H2,25,26,27)