ethyl 4-[2-[4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[2-(4-bromopyrazol-1-yl)butanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[2-(4-bromopyrazol-1-yl)butanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[2-(4-bromopyrazol-1-yl)butanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30BrN7O4 MolecularWeight: 524.4114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C)C(C)C(=O)N2CCN(CC2)C(=O)OCC)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C)C(C)C(=O)N2CCN(CC2)C(=O)OCC)N3C=C(C=N3)Br

InChI

InChI=1S/C21H30BrN7O4/c1-5-18(29-12-16(22)11-23-29)19(30)24-17-13-28(25-14(17)3)15(4)20(31)26-7-9-27(10-8-26)21(32)33-6-2/h11-13,15,18H,5-10H2,1-4H3,(H,24,30)