tert-butyl 5-oxidanylidene-4-(4-phenyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanylidene-4-(4-phenyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 5-oxo-4-[4-phenyl-5-(4-pyridyl)thiazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 5-oxo-4-(4-phenyl-5-pyridin-4-yl-2-thiazolyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-oxo-4-(4-phenyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 5-keto-4-[4-phenyl-5-(4-pyridyl)thiazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)N(CC1)C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)N(CC1)C2=NC(=C(S2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-24(2,3)31-23(30)27-14-11-19(29)28(16-15-27)22-26-20(17-7-5-4-6-8-17)21(32-22)18-9-12-25-13-10-18/h4-10,12-13H,11,14-16H2,1-3H3