N-[4-[3-(tert-butylamino)-3-oxidanyl-propoxy]-3-(6-diazanylpyridazin-3-yl)phenyl]butanamide

Systemtic Name: N-[4-[3-(tert-butylamino)-3-oxidanyl-propoxy]-3-(6-diazanylpyridazin-3-yl)phenyl]butanamide Openeye Name: N-[4-[3-(tert-butylamino)-3-hydroxy-propoxy]-3-(6-hydrazinopyridazin-3-yl)phenyl]butanamide CAS Name: N-[4-[3-(tert-butylamino)-3-hydroxypropoxy]-3-(6-hydrazinyl-3-pyridazinyl)phenyl]butanamide IUPAC Name: N-[4-[3-(tert-butylamino)-3-hydroxypropoxy]-3-(6-hydrazinylpyridazin-3-yl)phenyl]butanamide Traditional Name: N-[4-[3-(tert-butylamino)-3-hydroxy-propoxy]-3-(6-hydrazinopyridazin-3-yl)phenyl]butyramide Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCCC(NC(C)(C)C)O)C2=NN=C(C=C2)NN

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCCC(NC(C)(C)C)O)C2=NN=C(C=C2)NN

InChI

InChI=1S/C21H32N6O3/c1-5-6-19(28)23-14-7-9-17(30-12-11-20(29)24-21(2,3)4)15(13-14)16-8-10-18(25-22)27-26-16/h7-10,13,20,24,29H,5-6,11-12,22H2,1-4H3,(H,23,28)(H,25,27)