tert-butyl 4-(1,5-diphenylpyrazol-3-yl)-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(1,5-diphenylpyrazol-3-yl)-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(1,5-diphenylpyrazol-3-yl)-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-(1,5-diphenyl-3-pyrazolyl)-5-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,5-diphenylpyrazol-3-yl)-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-(1,5-diphenylpyrazol-3-yl)-5-keto-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-25(2,3)32-24(31)27-15-14-23(30)28(17-16-27)22-18-21(19-10-6-4-7-11-19)29(26-22)20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3