4-(7-butylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]-3-yl)benzenecarbonitrile

Systemtic Name: 4-(7-butylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]-3-yl)benzenecarbonitrile Openeye Name: 4-(7-butylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]-3-yl)benzonitrile CAS Name: 4-(7-butyl-3-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]yl)benzonitrile IUPAC Name: 4-(7-butylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]-3-yl)benzonitrile Traditional Name: 4-(7-butylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]-3-yl)benzonitrile Formula: C22H31N3 MolecularWeight: 337.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CN(CC(C1)C23CCCC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCN1CC2CN(CC(C1)C23CCCC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H31N3/c1-2-3-12-24-14-19-16-25(21-8-6-18(13-23)7-9-21)17-20(15-24)22(19)10-4-5-11-22/h6-9,19-20H,2-5,10-12,14-17H2,1H3