4-[4-[2-(ethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-N-pentan-3-yl-benzamide

Systemtic Name: 4-[4-[2-(ethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-N-pentan-3-yl-benzamide Openeye Name: 4-[4-[2-(ethylamino)-2-oxo-1-phenyl-ethyl]piperazin-1-yl]-N-(1-ethylpropyl)-3-fluoro-benzamide CAS Name: 4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]-1-piperazinyl]-3-fluoro-N-pentan-3-ylbenzamide IUPAC Name: 4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluoro-N-pentan-3-ylbenzamide Traditional Name: 4-[4-[2-(ethylamino)-2-keto-1-phenyl-ethyl]piperazino]-N-(1-ethylpropyl)-3-fluoro-benzamide Formula: C26H35FN4O2 MolecularWeight: 454.580103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NCC)F

Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NCC)F

InChI

InChI=1S/C26H35FN4O2/c1-4-21(5-2)29-25(32)20-12-13-23(22(27)18-20)30-14-16-31(17-15-30)24(26(33)28-6-3)19-10-8-7-9-11-19/h7-13,18,21,24H,4-6,14-17H2,1-3H3,(H,28,33)(H,29,32)