3-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(3,5-dimethoxybenzoyl)piperazino]propionitrile Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC#N)OC

InChI

InChI=1S/C16H21N3O3/c1-21-14-10-13(11-15(12-14)22-2)16(20)19-8-6-18(7-9-19)5-3-4-17/h10-12H,3,5-9H2,1-2H3