N-[6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(2-thenoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O2S/c27-21(17-6-2-1-3-7-17)24-18-9-10-20(23-16-18)25-11-5-12-26(14-13-25)22(28)19-8-4-15-29-19/h4,8-10,15-17H,1-3,5-7,11-14H2,(H,24,27)