(phenylmethyl) 2-[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(3-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O3S/c20-16-7-12-26-18(16)19(24)22-9-4-8-21(10-11-22)13-17(23)25-14-15-5-2-1-3-6-15/h1-3,5-7,12H,4,8-11,13-14H2