[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenyl] N-(4-bromophenyl)carbamate

Systemtic Name: [3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenyl] N-(4-bromophenyl)carbamate Openeye Name: [3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenyl] N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid [3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenyl] ester IUPAC Name: [3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenyl] N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid [3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenyl] ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O3/c1-3-22(13-4-5-14-25(2)20(22)26)16-7-6-8-19(15-16)28-21(27)24-18-11-9-17(23)10-12-18/h6-12,15H,3-5,13-14H2,1-2H3,(H,24,27)