1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethyl-nipecotamide Formula: C28H30ClN5O MolecularWeight: 488.0237

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H30ClN5O/c1-3-32(4-2)28(35)21-12-9-15-33(17-21)26-25-24(20-10-6-5-7-11-20)18-34(27(25)31-19-30-26)23-14-8-13-22(29)16-23/h5-8,10-11,13-14,16,18-19,21H,3-4,9,12,15,17H2,1-2H3