3-[4-(dimethylamino)heptyl]-2-(phenylcarbonyl)benzenecarbonitrile

Systemtic Name: 3-[4-(dimethylamino)heptyl]-2-(phenylcarbonyl)benzenecarbonitrile Openeye Name: 2-benzoyl-3-[4-(dimethylamino)heptyl]benzonitrile CAS Name: 2-benzoyl-3-[4-(dimethylamino)heptyl]benzonitrile IUPAC Name: 2-benzoyl-3-[4-(dimethylamino)heptyl]benzonitrile Traditional Name: 2-benzoyl-3-[4-(dimethylamino)heptyl]benzonitrile Formula: C23H28N2O MolecularWeight: 348.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=CC=CC(=C1C(=O)C2=CC=CC=C2)C#N)N(C)C

Isomeric SMILES

CCCC(CCCC1=CC=CC(=C1C(=O)C2=CC=CC=C2)C#N)N(C)C

InChI

InChI=1S/C23H28N2O/c1-4-10-21(25(2)3)16-9-14-18-13-8-15-20(17-24)22(18)23(26)19-11-6-5-7-12-19/h5-8,11-13,15,21H,4,9-10,14,16H2,1-3H3