[4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-phenylethanoate

Systemtic Name: [4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-phenylethanoate Openeye Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester IUPAC Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1OC(=O)CC3=CC=CC=C3)C(=NC=N2)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C1OC(=O)CC3=CC=CC=C3)C(=NC=N2)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H18N4O2/c23-13-16-6-8-17(9-7-16)26-22-21-18(24-14-25-22)10-11-19(21)28-20(27)12-15-4-2-1-3-5-15/h1-9,14,19H,10-12H2,(H,24,25,26)