ethenyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: ethenyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: vinyl 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid ethenyl ester IUPAC Name: ethenyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid vinyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)OC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)OC=C

InChI

InChI=1S/C18H25N3O3/c1-4-24-18(23)21-10-6-9-20(11-12-21)13-16(22)19-17-14(2)7-5-8-15(17)3/h4-5,7-8H,1,6,9-13H2,2-3H3,(H,19,22)