tert-butyl 4-[[[5-[4-(3-oxidanylazetidin-1-yl)carbonylphenyl]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[5-[4-(3-oxidanylazetidin-1-yl)carbonylphenyl]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[5-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[5-[4-[(3-hydroxy-1-azetidinyl)-oxomethyl]phenyl]-2-pyrazinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[5-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[5-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=NC=C(N=C2)C3=CC=C(C=C3)C(=O)N4CC(C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=NC=C(N=C2)C3=CC=C(C=C3)C(=O)N4CC(C4)O

InChI

InChI=1S/C25H33N5O4/c1-25(2,3)34-24(33)29-10-8-17(9-11-29)12-27-22-14-26-21(13-28-22)18-4-6-19(7-5-18)23(32)30-15-20(31)16-30/h4-7,13-14,17,20,31H,8-12,15-16H2,1-3H3,(H,27,28)