N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C30H38FN5O3 MolecularWeight: 535.652823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C30H38FN5O3/c31-25-9-4-8-23(20-25)28(37)33-26-21-24(30(39)36-16-12-32-13-17-36)10-11-27(26)34-14-5-15-35(19-18-34)29(38)22-6-2-1-3-7-22/h4,8-11,20-22,32H,1-3,5-7,12-19H2,(H,33,37)