1-(5-bromanylpyrimidin-2-yl)-2-ethanoyl-4-methyl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile

Systemtic Name: 1-(5-bromanylpyrimidin-2-yl)-2-ethanoyl-4-methyl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile Openeye Name: 2-acetyl-1-(5-bromopyrimidin-2-yl)-4-methyl-3-(4-piperidylamino)pyrrolidine-2-carbonitrile CAS Name: 2-acetyl-1-(5-bromo-2-pyrimidinyl)-4-methyl-3-(4-piperidinylamino)-2-pyrrolidinecarbonitrile IUPAC Name: 2-acetyl-1-(5-bromopyrimidin-2-yl)-4-methyl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile Traditional Name: 2-acetyl-1-(5-bromopyrimidin-2-yl)-4-methyl-3-(4-piperidylamino)pyrrolidine-2-carbonitrile Formula: C17H23BrN6O MolecularWeight: 407.30812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=C(C=N3)Br

Isomeric SMILES

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=C(C=N3)Br

InChI

InChI=1S/C17H23BrN6O/c1-11-9-24(16-21-7-13(18)8-22-16)17(10-19,12(2)25)15(11)23-14-3-5-20-6-4-14/h7-8,11,14-15,20,23H,3-6,9H2,1-2H3