phenyl-[(5S,6R)-6-pyrrolidin-1-yl-1,4-diazabicyclo[3.3.1]nonan-4-yl]methanone

Systemtic Name: phenyl-[(5S,6R)-6-pyrrolidin-1-yl-1,4-diazabicyclo[3.3.1]nonan-4-yl]methanone Openeye Name: phenyl-[(5S,6R)-6-pyrrolidin-1-yl-1,4-diazabicyclo[3.3.1]nonan-4-yl]methanone CAS Name: phenyl-[(5S,6R)-6-(1-pyrrolidinyl)-1,4-diazabicyclo[3.3.1]nonan-4-yl]methanone IUPAC Name: phenyl-[(5S,6R)-6-pyrrolidin-1-yl-1,4-diazabicyclo[3.3.1]nonan-4-yl]methanone Traditional Name: phenyl-[(5S,6R)-6-pyrrolidino-1,4-diazabicyclo[3.3.1]nonan-4-yl]methanone Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN3CCN(C2C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)[C@@H]2CCN3CCN([C@H]2C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H25N3O/c22-18(15-6-2-1-3-7-15)21-13-12-19-11-8-16(17(21)14-19)20-9-4-5-10-20/h1-3,6-7,16-17H,4-5,8-14H2/t16-,17+/m1/s1