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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CO)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c28-11-14-3-5-26(6-4-14)18-9-17-16(8-19(18)27(29)30)22(25-12-24-17)23-10-15-1-2-20-21(7-15)32-13-31-20/h1-2,7-9,12,14,28H,3-6,10-11,13H2,(H,23,24,25)