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

Systemtic Name: N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-(2-methyl-1-oxopropyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-(4-isobutyryl-1,4-diazepan-1-yl)-3-pyridyl]cyclohexanecarboxamide Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2/c1-16(2)21(27)25-12-6-11-24(13-14-25)19-10-9-18(15-22-19)23-20(26)17-7-4-3-5-8-17/h9-10,15-17H,3-8,11-14H2,1-2H3,(H,23,26)