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

Systemtic Name: 1-[4-[7-(4-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 2-phenoxy-1-[4-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[7-(4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-[4-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazino]ethanone Formula: C31H29N5O2 MolecularWeight: 503.59426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)COC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)COC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H29N5O2/c1-23-12-14-25(15-13-23)36-20-27(24-8-4-2-5-9-24)29-30(32-22-33-31(29)36)35-18-16-34(17-19-35)28(37)21-38-26-10-6-3-7-11-26/h2-15,20,22H,16-19,21H2,1H3