tert-butyl 4-[2-[(3,3-diphenylpropylamino)methyl]prop-2-enyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3,3-diphenylpropylamino)methyl]prop-2-enyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3,3-diphenylpropylamino)methyl]allyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3,3-diphenylpropylamino)methyl]prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3,3-diphenylpropylamino)methyl]prop-2-enyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,3-diphenylpropylamino)methyl]allyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=C)CNCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=C)CNCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H39N3O2/c1-23(22-30-17-19-31(20-18-30)27(32)33-28(2,3)4)21-29-16-15-26(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-14,26,29H,1,15-22H2,2-4H3