ethanoic acid; 1-(3-methylpyridin-2-yl)-1,4-diazepane

Systemtic Name: ethanoic acid; 1-(3-methylpyridin-2-yl)-1,4-diazepane Openeye Name: acetic acid; 1-(3-methyl-2-pyridyl)-1,4-diazepane CAS Name: acetic acid; 1-(3-methyl-2-pyridinyl)-1,4-diazepane IUPAC Name: acetic acid; 1-(3-methylpyridin-2-yl)-1,4-diazepane Traditional Name: acetic acid; 1-(3-methyl-2-pyridyl)-1,4-diazepane Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2CCCNCC2.CC(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)N2CCCNCC2.CC(=O)O

InChI

InChI=1S/C11H17N3.C2H4O2/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14;1-2(3)4/h2,4,6,12H,3,5,7-9H2,1H3;1H3,(H,3,4)