tert-butyl 3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxylate CAS Name: 3-(3,4-dichlorophenyl)-3-[3-(4-phenyl-1-piperazinyl)propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboxylate Traditional Name: 3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperazino)propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H39Cl2N3O2 MolecularWeight: 532.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C29H39Cl2N3O2/c1-28(2,3)36-27(35)34-16-8-14-29(22-34,23-11-12-25(30)26(31)21-23)13-7-15-32-17-19-33(20-18-32)24-9-5-4-6-10-24/h4-6,9-12,21H,7-8,13-20,22H2,1-3H3