4-[(2-chlorophenyl)methyl]-1-[(E)-2-methylbut-2-enoyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-2-methylbut-2-enoyl]-1,4-diazepan-5-one Openeye Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-2-methylbut-2-enoyl]-1,4-diazepan-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-2-methyl-1-oxobut-2-enyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-1-[(E)-2-methylbut-2-enoyl]-1,4-diazepan-5-one Traditional Name: 4-(2-chlorobenzyl)-1-[(E)-2-methylbut-2-enoyl]-1,4-diazepan-5-one Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)N1CCC(=O)N(CC1)CC2=CC=CC=C2Cl

Isomeric SMILES

C/C=C(\C)/C(=O)N1CCC(=O)N(CC1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C17H21ClN2O2/c1-3-13(2)17(22)19-9-8-16(21)20(11-10-19)12-14-6-4-5-7-15(14)18/h3-7H,8-12H2,1-2H3/b13-3+