1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]urea CAS Name: 1-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]urea Traditional Name: 1-benzyl-3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]urea Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrN3O2/c1-15-12-20(16(2)26(15)19-10-8-18(23)9-11-19)21(27)14-25-22(28)24-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,24,25,28)