tert-butyl 3-(3,6-dicyanocarbazol-9-yl)-2-(2-oxidanylpropyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-(3,6-dicyanocarbazol-9-yl)-2-(2-oxidanylpropyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-(3,6-dicyanocarbazol-9-yl)-2-(2-hydroxypropyl)piperazine-1-carboxylate CAS Name: 3-(3,6-dicyano-9-carbazolyl)-2-(2-hydroxypropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3,6-dicyanocarbazol-9-yl)-2-(2-hydroxypropyl)piperazine-1-carboxylate Traditional Name: 3-(3,6-dicyanocarbazol-9-yl)-2-(2-hydroxypropyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(NCCN1C(=O)OC(C)(C)C)N2C3=C(C=C(C=C3)C#N)C4=C2C=CC(=C4)C#N)O

Isomeric SMILES

CC(CC1C(NCCN1C(=O)OC(C)(C)C)N2C3=C(C=C(C=C3)C#N)C4=C2C=CC(=C4)C#N)O

InChI

InChI=1S/C26H29N5O3/c1-16(32)11-23-24(29-9-10-30(23)25(33)34-26(2,3)4)31-21-7-5-17(14-27)12-19(21)20-13-18(15-28)6-8-22(20)31/h5-8,12-13,16,23-24,29,32H,9-11H2,1-4H3