(3S)-1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-1-(5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinyl)-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethyl-nipecotamide Formula: C28H31N5O MolecularWeight: 453.57864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5O/c1-3-31(4-2)28(34)22-14-11-17-32(18-22)26-25-24(21-12-7-5-8-13-21)19-33(27(25)30-20-29-26)23-15-9-6-10-16-23/h5-10,12-13,15-16,19-20,22H,3-4,11,14,17-18H2,1-2H3/t22-/m0/s1