1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-4-yl-pyrrolidin-2-yl]-2-(4-chlorophenyl)ethanone

Systemtic Name: 1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-4-yl-pyrrolidin-2-yl]-2-(4-chlorophenyl)ethanone Openeye Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(4-piperidyl)pyrrolidin-2-yl]-2-(4-chlorophenyl)ethanone CAS Name: 1-[3-(2-amino-4-pyrimidinyl)-1-(4-piperidinyl)-2-pyrrolidinyl]-2-(4-chlorophenyl)ethanone IUPAC Name: 1-[3-(2-aminopyrimidin-4-yl)-1-piperidin-4-ylpyrrolidin-2-yl]-2-(4-chlorophenyl)ethanone Traditional Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(4-piperidyl)pyrrolidin-2-yl]-2-(4-chlorophenyl)ethanone Formula: C21H26ClN5O MolecularWeight: 399.91704

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCC(C2C(=O)CC3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N

Isomeric SMILES

C1CNCCC1N2CCC(C2C(=O)CC3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H26ClN5O/c22-15-3-1-14(2-4-15)13-19(28)20-17(18-7-11-25-21(23)26-18)8-12-27(20)16-5-9-24-10-6-16/h1-4,7,11,16-17,20,24H,5-6,8-10,12-13H2,(H2,23,25,26)