3-[2-[(1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: 3-[2-[(1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxamide Openeye Name: 3-[2-[(1-carbamoyl-3-phenyl-propyl)amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxamide CAS Name: 3-[2-[(1-amino-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3-azabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: 3-[2-[(1-amino-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxamide Traditional Name: 3-[2-[(1-carbamoyl-3-phenyl-propyl)amino]propanoyl]-3-azabicyclo[2.2.2]octane-2-carboxamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2CCC(C1C(=O)N)CC2)NC(CCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C(=O)N1C2CCC(C1C(=O)N)CC2)NC(CCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H30N4O3/c1-13(24-17(19(22)26)12-7-14-5-3-2-4-6-14)21(28)25-16-10-8-15(9-11-16)18(25)20(23)27/h2-6,13,15-18,24H,7-12H2,1H3,(H2,22,26)(H2,23,27)