N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-piperidin-1-yl-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-piperidin-1-yl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-(1-piperidyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-(1-piperidinyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-7-piperidin-1-ylquinazolin-4-amine Traditional Name: (6-nitro-7-piperidino-quinazolin-4-yl)-piperonyl-amine Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c27-26(28)18-9-15-16(10-17(18)25-6-2-1-3-7-25)23-12-24-21(15)22-11-14-4-5-19-20(8-14)30-13-29-19/h4-5,8-10,12H,1-3,6-7,11,13H2,(H,22,23,24)