N-[2-[4-(4-tert-butylphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C34H40FN5O3 MolecularWeight: 585.711503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H40FN5O3/c1-34(2,3)27-10-5-25(6-11-27)32(42)39-18-4-17-38(21-22-39)30-14-9-26(33(43)40-19-15-36-16-20-40)23-29(30)37-31(41)24-7-12-28(35)13-8-24/h5-14,23,36H,4,15-22H2,1-3H3,(H,37,41)