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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N5O5/c27-14-2-1-5-25(10-14)17-8-16-15(7-18(17)26(28)29)21(24-11-23-16)22-9-13-3-4-19-20(6-13)31-12-30-19/h3-4,6-8,11,14,27H,1-2,5,9-10,12H2,(H,22,23,24)