2-[2-(azepin-1-yl)ethyl]cyclohexan-1-one; (phenylmethyl) methanoate

Systemtic Name: 2-[2-(azepin-1-yl)ethyl]cyclohexan-1-one; (phenylmethyl) methanoate Openeye Name: 2-[2-(azepin-1-yl)ethyl]cyclohexanone; benzyl formate CAS Name: 2-[2-(1-azepinyl)ethyl]-1-cyclohexanone; formic acid (phenylmethyl) ester IUPAC Name: 2-[2-(azepin-1-yl)ethyl]cyclohexan-1-one; benzyl formate Traditional Name: 2-[2-(azepin-1-yl)ethyl]cyclohexanone; formic acid benzyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)CCN2C=CC=CC=C2.C1=CC=C(C=C1)COC=O

Isomeric SMILES

C1CCC(=O)C(C1)CCN2C=CC=CC=C2.C1=CC=C(C=C1)COC=O

InChI

InChI=1S/C14H19NO.C8H8O2/c16-14-8-4-3-7-13(14)9-12-15-10-5-1-2-6-11-15;9-7-10-6-8-4-2-1-3-5-8/h1-2,5-6,10-11,13H,3-4,7-9,12H2;1-5,7H,6H2