1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide Openeye Name: N-[(4-isopropylphenyl)methyl]-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide CAS Name: 1-(2-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-[(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide Traditional Name: N-(4-isopropylbenzyl)-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)nipecotamide Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=NC4=NN(C=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=NC4=NN(C=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6O/c1-19(2)21-12-10-20(11-13-21)15-28-27(34)22-7-6-14-32(16-22)26-24-17-33(23-8-4-3-5-9-23)31-25(24)29-18-30-26/h3-5,8-13,17-19,22H,6-7,14-16H2,1-2H3,(H,28,34)