tert-butyl 4-[5-[1-(3-pyridin-3-ylpyrrolidin-1-yl)carbonylcyclopropyl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[1-(3-pyridin-3-ylpyrrolidin-1-yl)carbonylcyclopropyl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[1-[3-(3-pyridyl)pyrrolidine-1-carbonyl]cyclopropyl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[1-[oxo-[3-(3-pyridinyl)-1-pyrrolidinyl]methyl]cyclopropyl]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)cyclopropyl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[1-[3-(3-pyridyl)pyrrolidine-1-carbonyl]cyclopropyl]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)C3(CC3)C(=O)N4CCC(C4)C5=CN=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)C3(CC3)C(=O)N4CCC(C4)C5=CN=CC=C5

InChI

InChI=1S/C27H35N5O3/c1-26(2,3)35-25(34)31-15-13-30(14-16-31)23-7-6-22(18-29-23)27(9-10-27)24(33)32-12-8-21(19-32)20-5-4-11-28-17-20/h4-7,11,17-18,21H,8-10,12-16,19H2,1-3H3