tert-butyl N-[1-oxidanylidene-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propylamino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propylamino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]carbamate CAS Name: N-[1-oxo-3-phenyl-1-[3-(4-phenyl-1-piperazinyl)propylamino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propylamino]propan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[3-(4-phenylpiperazino)propylamino]ethyl]carbamic acid tert-butyl ester Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C27H38N4O3/c1-27(2,3)34-26(33)29-24(21-22-11-6-4-7-12-22)25(32)28-15-10-16-30-17-19-31(20-18-30)23-13-8-5-9-14-23/h4-9,11-14,24H,10,15-21H2,1-3H3,(H,28,32)(H,29,33)