tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(1H-imidazol-5-ylmethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]carbamate CAS Name: N-[3-(1H-imidazol-5-yl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-2-keto-2-(4-phenylpiperazino)ethyl]carbamic acid tert-butyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O3/c1-21(2,3)29-20(28)24-18(13-16-14-22-15-23-16)19(27)26-11-9-25(10-12-26)17-7-5-4-6-8-17/h4-8,14-15,18H,9-13H2,1-3H3,(H,22,23)(H,24,28)