4-[3-[(3-butanoyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]propylamino]benzenecarbonitrile

Systemtic Name: 4-[3-[(3-butanoyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]propylamino]benzenecarbonitrile Openeye Name: 4-[3-[(3-butanoyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]propylamino]benzonitrile CAS Name: 4-[3-[methyl-[3-(1-oxobutyl)-3-azabicyclo[3.2.1]octan-8-yl]amino]propylamino]benzonitrile IUPAC Name: 4-[3-[(3-butanoyl-3-azabicyclo[3.2.1]octan-8-yl)-methylamino]propylamino]benzonitrile Traditional Name: 4-[3-[(3-butyryl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]propylamino]benzonitrile Formula: C22H32N4O MolecularWeight: 368.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2CCC(C1)C2N(C)CCCNC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC(=O)N1CC2CCC(C1)C2N(C)CCCNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H32N4O/c1-3-5-21(27)26-15-18-8-9-19(16-26)22(18)25(2)13-4-12-24-20-10-6-17(14-23)7-11-20/h6-7,10-11,18-19,22,24H,3-5,8-9,12-13,15-16H2,1-2H3