4-azanyl-N-[(4-chloranyl-3-phenyl-phenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-[(4-chloranyl-3-phenyl-phenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(4-chloro-3-phenyl-phenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(4-chloro-3-phenylphenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(4-chloro-3-phenylphenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-(4-chloro-3-phenyl-benzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C25H25ClN6O MolecularWeight: 460.9586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=CC(=C(C=C2)Cl)C3=CC=CC=C3)N)C4=NC=NC5=C4C=CN5

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=CC(=C(C=C2)Cl)C3=CC=CC=C3)N)C4=NC=NC5=C4C=CN5

InChI

InChI=1S/C25H25ClN6O/c26-21-7-6-17(14-20(21)18-4-2-1-3-5-18)15-29-24(33)25(27)9-12-32(13-10-25)23-19-8-11-28-22(19)30-16-31-23/h1-8,11,14,16H,9-10,12-13,15,27H2,(H,29,33)(H,28,30,31)