tert-butyl 2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-(4-benzylpiperazino)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O3/c1-27(2,3)34-26(33)31-15-7-10-24(31)25(32)28-22-11-13-23(14-12-22)30-18-16-29(17-19-30)20-21-8-5-4-6-9-21/h4-6,8-9,11-14,24H,7,10,15-20H2,1-3H3,(H,28,32)