1-[4-[7-(3-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[7-(3-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[7-(3-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[7-(3-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[7-(3-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[7-(3-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazino]-2-phenoxy-ethanone Formula: C31H29N5O3 MolecularWeight: 519.59366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)COC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)COC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H29N5O3/c1-38-26-14-8-11-24(19-26)36-20-27(23-9-4-2-5-10-23)29-30(32-22-33-31(29)36)35-17-15-34(16-18-35)28(37)21-39-25-12-6-3-7-13-25/h2-14,19-20,22H,15-18,21H2,1H3