tert-butyl N-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(4-ethylbenzoyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-5-16-6-8-17(9-7-16)19(26)24-14-12-23(13-15-24)18(25)10-11-22-20(27)28-21(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,22,27)