[3-(dipyridin-3-ylmethylamino)-5-ethyl-phenyl] 2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: [3-(dipyridin-3-ylmethylamino)-5-ethyl-phenyl] 2-[(4-cyanophenyl)amino]ethanoate Openeye Name: [3-[bis(3-pyridyl)methylamino]-5-ethyl-phenyl] 2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)acetic acid [3-[bis(3-pyridinyl)methylamino]-5-ethylphenyl] ester IUPAC Name: [3-(dipyridin-3-ylmethylamino)-5-ethylphenyl] 2-(4-cyanoanilino)acetate Traditional Name: 2-(4-cyanoanilino)acetic acid [3-[bis(3-pyridyl)methylamino]-5-ethyl-phenyl] ester Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC(=O)CNC2=CC=C(C=C2)C#N)NC(C3=CN=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC(=CC(=C1)OC(=O)CNC2=CC=C(C=C2)C#N)NC(C3=CN=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C28H25N5O2/c1-2-20-13-25(33-28(22-5-3-11-30-17-22)23-6-4-12-31-18-23)15-26(14-20)35-27(34)19-32-24-9-7-21(16-29)8-10-24/h3-15,17-18,28,32-33H,2,19H2,1H3