5-(1,4-diazepan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole

Systemtic Name: 5-(1,4-diazepan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole Openeye Name: 5-(1,4-diazepan-1-ylmethyl)-3-(p-tolyl)isoxazole CAS Name: 5-(1,4-diazepan-1-ylmethyl)-3-(4-methylphenyl)isoxazole IUPAC Name: 5-(1,4-diazepan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole Traditional Name: 5-(1,4-diazepan-1-ylmethyl)-3-(p-tolyl)isoxazole Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)CN3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)CN3CCCNCC3

InChI

InChI=1S/C16H21N3O/c1-13-3-5-14(6-4-13)16-11-15(20-18-16)12-19-9-2-7-17-8-10-19/h3-6,11,17H,2,7-10,12H2,1H3