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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: butyl-(6-nitro-7-piperazino-quinazolin-4-yl)-piperonyl-amine Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O4/c1-2-3-8-29(14-17-4-5-22-23(11-17)34-16-33-22)24-18-12-21(30(31)32)20(13-19(18)26-15-27-24)28-9-6-25-7-10-28/h4-5,11-13,15,25H,2-3,6-10,14,16H2,1H3