N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazino]phenyl]cyclohexanecarboxamide Formula: C31H41N5O3 MolecularWeight: 531.68894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H41N5O3/c37-29(22-24-8-3-1-4-9-24)35-20-18-34(19-21-35)28-13-12-26(31(39)36-16-7-14-32-15-17-36)23-27(28)33-30(38)25-10-5-2-6-11-25/h1,3-4,8-9,12-13,23,25,32H,2,5-7,10-11,14-22H2,(H,33,38)