4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-piperazine-1-carboxamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-piperazine-1-carboxamide CAS Name: 4-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-N-tert-butyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butylpiperazine-1-carboxamide Traditional Name: 4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-piperazine-1-carboxamide Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N6O3/c1-24(2,3)26-23(31)30-12-10-29(11-13-30)22-18-7-5-4-6-17(18)21(27-28-22)25-16-8-9-19-20(14-16)33-15-32-19/h4-9,14H,10-13,15H2,1-3H3,(H,25,27)(H,26,31)