tert-butyl 3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-ynyl]indazole-1-carboxylate

Systemtic Name: tert-butyl 3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-ynyl]indazole-1-carboxylate Openeye Name: tert-butyl 3-[3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-ynyl]indazole-1-carboxylate CAS Name: 3-[3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-ynyl]-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-ynyl]indazole-1-carboxylate Traditional Name: 3-[3-keto-3-(4-phenylpiperazino)prop-1-ynyl]indazole-1-carboxylic acid tert-butyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)C#CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)C#CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-25(2,3)32-24(31)29-22-12-8-7-11-20(22)21(26-29)13-14-23(30)28-17-15-27(16-18-28)19-9-5-4-6-10-19/h4-12H,15-18H2,1-3H3