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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperidin-4-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperidin-4-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-7-quinazolinyl]-4-piperidinol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitroquinazolin-7-yl]piperidin-4-ol Traditional Name: 1-[6-nitro-4-(piperonylamino)quinazolin-7-yl]piperidin-4-ol Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c27-14-3-5-25(6-4-14)17-9-16-15(8-18(17)26(28)29)21(24-11-23-16)22-10-13-1-2-19-20(7-13)31-12-30-19/h1-2,7-9,11,14,27H,3-6,10,12H2,(H,22,23,24)