5-[bis(prop-2-enyl)amino]-1-[(2-methylphenyl)methyl]azepan-2-one

Systemtic Name: 5-[bis(prop-2-enyl)amino]-1-[(2-methylphenyl)methyl]azepan-2-one Openeye Name: 5-(diallylamino)-1-(o-tolylmethyl)azepan-2-one CAS Name: 5-[bis(prop-2-enyl)amino]-1-[(2-methylphenyl)methyl]-2-azepanone IUPAC Name: 5-[bis(prop-2-enyl)amino]-1-[(2-methylphenyl)methyl]azepan-2-one Traditional Name: 5-(diallylamino)-1-(2-methylbenzyl)azepan-2-one Formula: C20H28N2O MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CCC2=O)N(CC=C)CC=C

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CCC2=O)N(CC=C)CC=C

InChI

InChI=1S/C20H28N2O/c1-4-13-21(14-5-2)19-10-11-20(23)22(15-12-19)16-18-9-7-6-8-17(18)3/h4-9,19H,1-2,10-16H2,3H3