ethanoic acid; 1-(2-methylphenyl)-1,4-diazepane

Systemtic Name: ethanoic acid; 1-(2-methylphenyl)-1,4-diazepane Openeye Name: acetic acid; 1-(o-tolyl)-1,4-diazepane CAS Name: acetic acid; 1-(2-methylphenyl)-1,4-diazepane IUPAC Name: acetic acid; 1-(2-methylphenyl)-1,4-diazepane Traditional Name: acetic acid; 1-(o-tolyl)-1,4-diazepane Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCNCC2.CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCCNCC2.CC(=O)O

InChI

InChI=1S/C12H18N2.C2H4O2/c1-11-5-2-3-6-12(11)14-9-4-7-13-8-10-14;1-2(3)4/h2-3,5-6,13H,4,7-10H2,1H3;1H3,(H,3,4)