N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C33H38FN5O3 MolecularWeight: 571.684923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C33H38FN5O3/c1-33(2,3)26-10-7-23(8-11-26)31(41)39-19-17-37(18-20-39)29-12-9-25(32(42)38-15-13-35-14-16-38)22-28(29)36-30(40)24-5-4-6-27(34)21-24/h4-12,21-22,35H,13-20H2,1-3H3,(H,36,40)