1-but-3-enoyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-but-3-enoyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-but-3-enoyl-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(2-methylphenyl)methyl]-1-(1-oxobut-3-enyl)-1,4-diazepan-5-one IUPAC Name: 1-but-3-enoyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-but-3-enoyl-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)CC=C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)CC=C

InChI

InChI=1S/C17H22N2O2/c1-3-6-16(20)18-10-9-17(21)19(12-11-18)13-15-8-5-4-7-14(15)2/h3-5,7-8H,1,6,9-13H2,2H3