1-(chloromethyl)-3-propyl-benzene; 2-phenylethanenitrile

Systemtic Name: 1-(chloromethyl)-3-propyl-benzene; 2-phenylethanenitrile Openeye Name: 1-(chloromethyl)-3-propyl-benzene; 2-phenylacetonitrile CAS Name: 1-(chloromethyl)-3-propylbenzene; 2-phenylacetonitrile IUPAC Name: 1-(chloromethyl)-3-propylbenzene; 2-phenylacetonitrile Traditional Name: 1-(chloromethyl)-3-propyl-benzene; 2-phenylacetonitrile Formula: C18H20ClN MolecularWeight: 285.8111

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)CCl.C1=CC=C(C=C1)CC#N

Isomeric SMILES

CCCC1=CC(=CC=C1)CCl.C1=CC=C(C=C1)CC#N

InChI

InChI=1S/C10H13Cl.C8H7N/c1-2-4-9-5-3-6-10(7-9)8-11;9-7-6-8-4-2-1-3-5-8/h3,5-7H,2,4,8H2,1H3;1-5H,6H2