1-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethyl-nipecotamide Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN6O/c1-3-26(4-2)21(29)15-6-5-11-27(13-15)19-18-12-25-28(20(18)24-14-23-19)17-9-7-16(22)8-10-17/h7-10,12,14-15H,3-6,11,13H2,1-2H3