butyl 4-[(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: butyl 4-[(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: butyl 4-[(3-morpholino-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate CAS Name: 4-[[3-(4-morpholinyl)-1H-1,2,4-triazol-5-yl]amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylic acid butyl ester IUPAC Name: butyl 4-[(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 4-[(3-morpholino-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-3-pyrroline-3-carboxylic acid butyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(CN(C1)C2=CC=CC=C2)NC3=NC(=NN3)N4CCOCC4

Isomeric SMILES

CCCCOC(=O)C1=C(CN(C1)C2=CC=CC=C2)NC3=NC(=NN3)N4CCOCC4

InChI

InChI=1S/C21H28N6O3/c1-2-3-11-30-19(28)17-14-27(16-7-5-4-6-8-16)15-18(17)22-20-23-21(25-24-20)26-9-12-29-13-10-26/h4-8H,2-3,9-15H2,1H3,(H2,22,23,24,25)