1-(4-tert-butylphenyl)-N-methyl-methanamine; 4-ethanoylbenzenecarbonitrile

Systemtic Name: 1-(4-tert-butylphenyl)-N-methyl-methanamine; 4-ethanoylbenzenecarbonitrile Openeye Name: 4-acetylbenzonitrile; 1-(4-tert-butylphenyl)-N-methyl-methanamine CAS Name: 4-acetylbenzonitrile; 1-(4-tert-butylphenyl)-N-methylmethanamine IUPAC Name: 4-acetylbenzonitrile; 1-(4-tert-butylphenyl)-N-methylmethanamine Traditional Name: 4-acetylbenzonitrile; (4-tert-butylbenzyl)-methyl-amine Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C#N.CC(C)(C)C1=CC=C(C=C1)CNC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C#N.CC(C)(C)C1=CC=C(C=C1)CNC

InChI

InChI=1S/C12H19N.C9H7NO/c1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-7(11)9-4-2-8(6-10)3-5-9/h5-8,13H,9H2,1-4H3;2-5H,1H3