N-cyclohexylcarbonyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-cyclohexylcarbonyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]cyclohexanecarboxamide Openeye Name: N-(cyclohexanecarbonyl)-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]cyclohexanecarboxamide CAS Name: N-[cyclohexyl(oxo)methyl]-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]cyclohexanecarboxamide IUPAC Name: N-(cyclohexanecarbonyl)-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]cyclohexanecarboxamide Traditional Name: N-(cyclohexanecarbonyl)-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]cyclohexanecarboxamide Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)N(C(=O)C3CCCCC3)C(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)N(C(=O)C3CCCCC3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H39N3O3/c1-20-13-14-23(25(31)29-17-8-15-28-16-18-29)19-24(20)30(26(32)21-9-4-2-5-10-21)27(33)22-11-6-3-7-12-22/h13-14,19,21-22,28H,2-12,15-18H2,1H3