N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-(3-methyl-1-oxobutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: N-[6-(4-isovaleryl-1,4-diazepan-1-yl)-3-pyridyl]-2-phenoxy-acetamide Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-18(2)15-23(29)27-12-6-11-26(13-14-27)21-10-9-19(16-24-21)25-22(28)17-30-20-7-4-3-5-8-20/h3-5,7-10,16,18H,6,11-15,17H2,1-2H3,(H,25,28)