N-methylcyclopropanamine; 3-(4-phenylbutoxy)benzenecarbonitrile

Systemtic Name: N-methylcyclopropanamine; 3-(4-phenylbutoxy)benzenecarbonitrile Openeye Name: N-methylcyclopropanamine; 3-(4-phenylbutoxy)benzonitrile CAS Name: N-methylcyclopropanamine; 3-(4-phenylbutoxy)benzonitrile IUPAC Name: N-methylcyclopropanamine; 3-(4-phenylbutoxy)benzonitrile Traditional Name: cyclopropyl(methyl)amine; 3-(4-phenylbutoxy)benzonitrile Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CC1.C1=CC=C(C=C1)CCCCOC2=CC=CC(=C2)C#N

Isomeric SMILES

CNC1CC1.C1=CC=C(C=C1)CCCCOC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H17NO.C4H9N/c18-14-16-10-6-11-17(13-16)19-12-5-4-9-15-7-2-1-3-8-15;1-5-4-2-3-4/h1-3,6-8,10-11,13H,4-5,9,12H2;4-5H,2-3H2,1H3