5-[methyl(1,2-oxazol-3-ylmethyl)amino]-1-[(4-methylphenyl)methyl]azepan-2-one

Systemtic Name: 5-[methyl(1,2-oxazol-3-ylmethyl)amino]-1-[(4-methylphenyl)methyl]azepan-2-one Openeye Name: 5-[isoxazol-3-ylmethyl(methyl)amino]-1-(p-tolylmethyl)azepan-2-one CAS Name: 5-[3-isoxazolylmethyl(methyl)amino]-1-[(4-methylphenyl)methyl]-2-azepanone IUPAC Name: 5-[methyl(1,2-oxazol-3-ylmethyl)amino]-1-[(4-methylphenyl)methyl]azepan-2-one Traditional Name: 5-[isoxazol-3-ylmethyl(methyl)amino]-1-(4-methylbenzyl)azepan-2-one Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N(C)CC3=NOC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N(C)CC3=NOC=C3

InChI

InChI=1S/C19H25N3O2/c1-15-3-5-16(6-4-15)13-22-11-9-18(7-8-19(22)23)21(2)14-17-10-12-24-20-17/h3-6,10,12,18H,7-9,11,13-14H2,1-2H3