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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperidin-3-yl]methanol Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]-3-piperidyl]methanol CAS Name: [1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-7-quinazolinyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitroquinazolin-7-yl]piperidin-3-yl]methanol Traditional Name: [1-[6-nitro-4-(piperonylamino)quinazolin-7-yl]-3-piperidyl]methanol Formula: C22H23N5O5 MolecularWeight: 437.44852

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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-])CO

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c28-11-15-2-1-5-26(10-15)18-8-17-16(7-19(18)27(29)30)22(25-12-24-17)23-9-14-3-4-20-21(6-14)32-13-31-20/h3-4,6-8,12,15,28H,1-2,5,9-11,13H2,(H,23,24,25)