tert-butyl 4-[[4-(2-phenylazanylethanoyl)piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(2-phenylazanylethanoyl)piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-anilinoacetyl)piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-anilino-1-oxoethyl)-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-anilinoacetyl)piperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-anilinoacetyl)piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C(=O)CNC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C(=O)CNC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O3/c1-23(2,3)30-22(29)27-11-9-19(10-12-27)18-25-13-15-26(16-14-25)21(28)17-24-20-7-5-4-6-8-20/h4-8,19,24H,9-18H2,1-3H3