1-[(1S,5R)-9-[(E)-3-(3-chlorophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

Systemtic Name: 1-[(1S,5R)-9-[(E)-3-(3-chlorophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Openeye Name: 1-[(1S,5R)-9-[(E)-3-(3-chlorophenyl)allyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one CAS Name: 1-[(1S,5R)-9-[(E)-3-(3-chlorophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-1-propanone IUPAC Name: 1-[(1S,5R)-9-[(E)-3-(3-chlorophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Traditional Name: 1-[(1S,5R)-9-[(E)-3-(3-chlorophenyl)allyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Formula: C19H25ClN2O MolecularWeight: 332.8676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC2CCCC(C1)N2CC=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H25ClN2O/c1-2-19(23)21-13-17-9-4-10-18(14-21)22(17)11-5-7-15-6-3-8-16(20)12-15/h3,5-8,12,17-18H,2,4,9-11,13-14H2,1H3/b7-5+/t17-,18+