4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-7-quinazolinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitroquinazolin-7-yl]piperazine-1-carbaldehyde Traditional Name: 4-[6-nitro-4-(piperonylamino)quinazolin-7-yl]piperazine-1-carbaldehyde Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C=O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5/c28-12-25-3-5-26(6-4-25)17-9-16-15(8-18(17)27(29)30)21(24-11-23-16)22-10-14-1-2-19-20(7-14)32-13-31-19/h1-2,7-9,11-12H,3-6,10,13H2,(H,22,23,24)