4-tert-butyl-N-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-(4-benzoylpiperazin-1-yl)-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-(4-benzoyl-1-piperazinyl)-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-(4-benzoylpiperazino)-3-keto-propyl]-4-tert-butyl-benzamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)21-11-9-19(10-12-21)23(30)26-14-13-22(29)27-15-17-28(18-16-27)24(31)20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3,(H,26,30)