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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: ethyl-(6-nitro-7-piperazino-quinazolin-4-yl)-piperonyl-amine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

InChI

InChI=1S/C22H24N6O4/c1-2-26(12-15-3-4-20-21(9-15)32-14-31-20)22-16-10-19(28(29)30)18(11-17(16)24-13-25-22)27-7-5-23-6-8-27/h3-4,9-11,13,23H,2,5-8,12,14H2,1H3