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

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C31H40FN5O3 MolecularWeight: 549.679403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C31H40FN5O3/c32-26-10-4-9-24(21-26)29(38)34-27-22-25(31(40)36-15-5-13-33-14-18-36)11-12-28(27)35-16-6-17-37(20-19-35)30(39)23-7-2-1-3-8-23/h4,9-12,21-23,33H,1-3,5-8,13-20H2,(H,34,38)