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

Systemtic Name: [4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] benzoate Openeye Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O2/c22-12-14-6-8-16(9-7-14)25-20-19-17(23-13-24-20)10-11-18(19)27-21(26)15-4-2-1-3-5-15/h1-9,13,18H,10-11H2,(H,23,24,25)