N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-(3-methyl-1-oxobutyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-(4-isovaleryl-1,4-diazepan-1-yl)-3-pyridyl]cyclohexanecarboxamide Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)CC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H34N4O2/c1-17(2)15-21(27)26-12-6-11-25(13-14-26)20-10-9-19(16-23-20)24-22(28)18-7-4-3-5-8-18/h9-10,16-18H,3-8,11-15H2,1-2H3,(H,24,28)