3-[7-[methyl(prop-2-enyl)amino]heptyl]-2-(phenylcarbonyl)benzenecarbonitrile

Systemtic Name: 3-[7-[methyl(prop-2-enyl)amino]heptyl]-2-(phenylcarbonyl)benzenecarbonitrile Openeye Name: 3-[7-[allyl(methyl)amino]heptyl]-2-benzoyl-benzonitrile CAS Name: 2-benzoyl-3-[7-[methyl(prop-2-enyl)amino]heptyl]benzonitrile IUPAC Name: 2-benzoyl-3-[7-[methyl(prop-2-enyl)amino]heptyl]benzonitrile Traditional Name: 3-[7-[allyl(methyl)amino]heptyl]-2-benzoyl-benzonitrile Formula: C25H30N2O MolecularWeight: 374.5185

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCC1=CC=CC(=C1C(=O)C2=CC=CC=C2)C#N)CC=C

Isomeric SMILES

CN(CCCCCCCC1=CC=CC(=C1C(=O)C2=CC=CC=C2)C#N)CC=C

InChI

InChI=1S/C25H30N2O/c1-3-18-27(2)19-11-6-4-5-8-13-21-16-12-17-23(20-26)24(21)25(28)22-14-9-7-10-15-22/h3,7,9-10,12,14-17H,1,4-6,8,11,13,18-19H2,2H3