N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C21H33N5O2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCCNCCCCNCCCN

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCCNCCCCNCCCN

InChI

InChI=1S/C21H33N5O2/c1-17-19(20(26-28-17)18-9-3-2-4-10-18)21(27)25-16-8-15-24-13-6-5-12-23-14-7-11-22/h2-4,9-10,23-24H,5-8,11-16,22H2,1H3,(H,25,27)