2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]ethyl 4-cyano-4-phenyl-piperidine-1-carboxylate

Systemtic Name: 2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]ethyl 4-cyano-4-phenyl-piperidine-1-carboxylate Openeye Name: 2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]ethyl 4-cyano-4-phenyl-piperidine-1-carboxylate CAS Name: 4-cyano-4-phenyl-1-piperidinecarboxylic acid 2-[4-[(4-dimethylaminophenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]ethyl 4-cyano-4-phenylpiperidine-1-carboxylate Traditional Name: 4-cyano-4-phenyl-piperidine-1-carboxylic acid 2-[4-[4-(dimethylamino)benzyl]piperazino]ethyl ester Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H37N5O2/c1-30(2)26-10-8-24(9-11-26)22-32-18-16-31(17-19-32)20-21-35-27(34)33-14-12-28(23-29,13-15-33)25-6-4-3-5-7-25/h3-11H,12-22H2,1-2H3