2-bromanyl-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-2-methyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-2-methyl-propyl]benzamide Formula: C20H27BrN4O2 MolecularWeight: 435.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C20H27BrN4O2/c1-13(2)18(23-19(26)16-8-5-6-9-17(16)21)20(27)22-10-7-11-25-15(4)12-14(3)24-25/h5-6,8-9,12-13,18H,7,10-11H2,1-4H3,(H,22,27)(H,23,26)