[4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] (E)-3-phenylprop-2-enoate Openeye Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O2/c24-14-17-6-9-18(10-7-17)27-23-22-19(25-15-26-23)11-12-20(22)29-21(28)13-8-16-4-2-1-3-5-16/h1-10,13,15,20H,11-12H2,(H,25,26,27)/b13-8+