ethyl 1-[3-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(3-cyano-4,5-diphenyl-2-furyl)amino]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: 1-[3-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-cyano-4,5-diphenylfuran-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[(3-cyano-4,5-diphenyl-2-furyl)amino]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C33H29N5O3 MolecularWeight: 543.61506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C33H29N5O3/c1-2-40-33(39)24-16-11-19-38(21-24)31-30(35-26-17-9-10-18-27(26)36-31)37-32-25(20-34)28(22-12-5-3-6-13-22)29(41-32)23-14-7-4-8-15-23/h3-10,12-15,17-18,24H,2,11,16,19,21H2,1H3,(H,35,37)