3-phenylpropyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: 3-phenylpropyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: 3-phenylpropyl 4-[cyano(3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[cyano(3-pyridinyl)methyl]-1-piperazinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[cyano(3-pyridyl)methyl]piperazine-1-carboxylic acid 3-phenylpropyl ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2/c22-16-20(19-9-4-10-23-17-19)24-11-13-25(14-12-24)21(26)27-15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,17,20H,5,8,11-15H2