1-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-N-propyl-4H-quinazolin-2-amine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-N-propyl-4H-quinazolin-2-amine Openeye Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-N-propyl-4H-quinazolin-2-amine CAS Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-7-(1-piperazinyl)-N-propyl-4H-quinazolin-2-amine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazin-1-yl-N-propyl-4H-quinazolin-2-amine Traditional Name: [1-(1,3-benzodioxol-5-yl)-6-nitro-7-piperazino-4H-quinazolin-2-yl]-propyl-amine Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NCC2=CC(=C(C=C2N1C3=CC4=C(C=C3)OCO4)N5CCNCC5)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=NCC2=CC(=C(C=C2N1C3=CC4=C(C=C3)OCO4)N5CCNCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c1-2-5-24-22-25-13-15-10-19(28(29)30)18(26-8-6-23-7-9-26)12-17(15)27(22)16-3-4-20-21(11-16)32-14-31-20/h3-4,10-12,23H,2,5-9,13-14H2,1H3,(H,24,25)