2-(4-chlorophenyl)-N-methyl-ethanamine; 2,2-diphenylbutanenitrile

Systemtic Name: 2-(4-chlorophenyl)-N-methyl-ethanamine; 2,2-diphenylbutanenitrile Openeye Name: 2-(4-chlorophenyl)-N-methyl-ethanamine; 2,2-diphenylbutanenitrile CAS Name: 2-(4-chlorophenyl)-N-methylethanamine; 2,2-diphenylbutanenitrile IUPAC Name: 2-(4-chlorophenyl)-N-methylethanamine; 2,2-diphenylbutanenitrile Traditional Name: 2-(4-chlorophenyl)ethyl-methyl-amine; 2,2-diphenylbutyronitrile Formula: C25H27ClN2 MolecularWeight: 390.94828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.CNCCC1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.CNCCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H15N.C9H12ClN/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-11-7-6-8-2-4-9(10)5-3-8/h3-12H,2H2,1H3;2-5,11H,6-7H2,1H3