(2S,4R)-4-(cyclooctylamino)-N-ethyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(cyclooctylamino)-N-ethyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(cyclooctylamino)-N-ethyl-1-(4-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(cyclooctylamino)-N-ethyl-1-(pyridin-4-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(cyclooctylamino)-N-ethyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(cyclooctylamino)-N-ethyl-1-(4-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C21H34N4O MolecularWeight: 358.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(CN1CC2=CC=NC=C2)NC3CCCCCCC3

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@H](CN1CC2=CC=NC=C2)NC3CCCCCCC3

InChI

InChI=1S/C21H34N4O/c1-2-23-21(26)20-14-19(24-18-8-6-4-3-5-7-9-18)16-25(20)15-17-10-12-22-13-11-17/h10-13,18-20,24H,2-9,14-16H2,1H3,(H,23,26)/t19-,20+/m1/s1