tert-butyl 4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C20H29N5O4/c1-20(2,3)29-19(28)24-9-6-14(7-10-24)18(27)23-15-4-5-16(22-12-15)25-11-8-21-17(26)13-25/h4-5,12,14H,6-11,13H2,1-3H3,(H,21,26)(H,23,27)