tert-butyl 4-[2-[3-(3,4-dichlorophenyl)-6-oxidanylidene-1-pyridin-2-yl-piperidin-3-yl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-(3,4-dichlorophenyl)-6-oxidanylidene-1-pyridin-2-yl-piperidin-3-yl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(3,4-dichlorophenyl)-6-oxo-1-(2-pyridyl)-3-piperidyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(3,4-dichlorophenyl)-6-oxo-1-(2-pyridinyl)-3-piperidinyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(3,4-dichlorophenyl)-6-keto-1-(2-pyridyl)-3-piperidyl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H34Cl2N4O3 MolecularWeight: 533.48986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2(CCC(=O)N(C2)C3=CC=CC=N3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2(CCC(=O)N(C2)C3=CC=CC=N3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H34Cl2N4O3/c1-26(2,3)36-25(35)32-16-14-31(15-17-32)13-11-27(20-7-8-21(28)22(29)18-20)10-9-24(34)33(19-27)23-6-4-5-12-30-23/h4-8,12,18H,9-11,13-17,19H2,1-3H3