1-(4-bromanyl-3-methyl-phenyl)-3-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-bromo-3-methyl-phenyl)urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-bromo-3-methylphenyl)urea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-bromo-3-methyl-phenyl)urea Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O/c1-15-12-17(9-10-19(15)21)23-20(25)22-13-18-8-5-11-24(18)14-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H2,22,23,25)