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

Systemtic Name: N-[2-(4-cyclobutylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C28H41N5O3 MolecularWeight: 495.65684

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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)C5CCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C28H41N5O3/c34-26(21-6-2-1-3-7-21)30-24-20-23(28(36)32-14-5-12-29-13-15-32)10-11-25(24)31-16-18-33(19-17-31)27(35)22-8-4-9-22/h10-11,20-22,29H,1-9,12-19H2,(H,30,34)