tert-butyl N-[(2S)-1-[2-ethenyl-4-(phenylmethyl)piperazin-1-yl]-1-oxidanylidene-pent-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[2-ethenyl-4-(phenylmethyl)piperazin-1-yl]-1-oxidanylidene-pent-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(4-benzyl-2-vinyl-piperazine-1-carbonyl)but-3-enyl]carbamate CAS Name: N-[(2S)-1-[2-ethenyl-4-(phenylmethyl)-1-piperazinyl]-1-oxopent-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(4-benzyl-2-ethenylpiperazin-1-yl)-1-oxopent-4-en-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-benzyl-2-vinyl-piperazine-1-carbonyl)but-3-enyl]carbamic acid tert-butyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC=C)C(=O)N1CCN(CC1C=C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC=C)C(=O)N1CCN(CC1C=C)CC2=CC=CC=C2

InChI

InChI=1S/C23H33N3O3/c1-6-11-20(24-22(28)29-23(3,4)5)21(27)26-15-14-25(17-19(26)7-2)16-18-12-9-8-10-13-18/h6-10,12-13,19-20H,1-2,11,14-17H2,3-5H3,(H,24,28)/t19?,20-/m0/s1