4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylamino]benzenecarbonitrile

Systemtic Name: 4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylamino]benzenecarbonitrile Openeye Name: 4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylamino]benzonitrile CAS Name: 4-[3-[3-(1-oxobutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzonitrile IUPAC Name: 4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylamino]benzonitrile Traditional Name: 4-[3-(3-butyryl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylamino]benzonitrile Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2CCC(C1)N2CCCNC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC(=O)N1CC2CCC(C1)N2CCCNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H28N4O/c1-2-4-20(25)23-14-18-9-10-19(15-23)24(18)12-3-11-22-17-7-5-16(13-21)6-8-17/h5-8,18-19,22H,2-4,9-12,14-15H2,1H3