ethyl 4-(3,6-dicyano-7-ethoxy-5-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(3,6-dicyano-7-ethoxy-5-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3,6-dicyano-7-ethoxy-5-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate CAS Name: 4-(3,6-dicyano-7-ethoxy-5-phenyl-1,8-naphthyridin-2-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,6-dicyano-7-ethoxy-5-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3,6-dicyano-7-ethoxy-5-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C(=N2)N3CCN(CC3)C(=O)OCC)C#N)C(=C1C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC1=NC2=C(C=C(C(=N2)N3CCN(CC3)C(=O)OCC)C#N)C(=C1C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H24N6O3/c1-3-33-24-20(16-27)21(17-8-6-5-7-9-17)19-14-18(15-26)23(28-22(19)29-24)30-10-12-31(13-11-30)25(32)34-4-2/h5-9,14H,3-4,10-13H2,1-2H3