N-(4-bromophenyl)-2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydroimidazole-1-carboxamide hydrate

Systemtic Name: N-(4-bromophenyl)-2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydroimidazole-1-carboxamide hydrate Openeye Name: N-(4-bromophenyl)-2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydroimidazole-1-carboxamide hydrate CAS Name: N-(4-bromophenyl)-2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydroimidazole-1-carboxamide hydrate IUPAC Name: N-(4-bromophenyl)-2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydroimidazole-1-carboxamide hydrate Traditional Name: N-(4-bromophenyl)-2-[(2,3-dimethylphenoxy)methyl]-2-imidazoline-1-carboxamide hydrate Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NCCN2C(=O)NC3=CC=C(C=C3)Br)C.O

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NCCN2C(=O)NC3=CC=C(C=C3)Br)C.O

InChI

InChI=1S/C19H20BrN3O2.H2O/c1-13-4-3-5-17(14(13)2)25-12-18-21-10-11-23(18)19(24)22-16-8-6-15(20)7-9-16;/h3-9H,10-12H2,1-2H3,(H,22,24);1H2