4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]amino]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]amino]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxo-ethyl]amino]-N-(2-pyridylmethyl)cyclohexanecarboxamide CAS Name: 4-[[2-(2-isocyano-1-pyrrolidinyl)-2-oxoethyl]amino]-N-(2-pyridinylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-[[2-(2-isocyanopyrrolidino)-2-keto-ethyl]amino]-N-(2-pyridylmethyl)cyclohexanecarboxamide Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1CCCN1C(=O)CNC2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

[C-]#[N+]C1CCCN1C(=O)CNC2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H27N5O2/c1-21-18-6-4-12-25(18)19(26)14-23-16-9-7-15(8-10-16)20(27)24-13-17-5-2-3-11-22-17/h2-3,5,11,15-16,18,23H,4,6-10,12-14H2,(H,24,27)