tert-butyl 4-[2-[4-[4-(4-methylpiperazin-1-yl)carbonylphenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[4-(4-methylpiperazin-1-yl)carbonylphenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H45N5O3 MolecularWeight: 499.6886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C28H45N5O3/c1-28(2,3)36-27(35)33-13-10-23(11-14-33)9-12-30-17-21-31(22-18-30)25-7-5-24(6-8-25)26(34)32-19-15-29(4)16-20-32/h5-8,23H,9-22H2,1-4H3