N-(4-bromanyl-3-methyl-phenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(1-ethyl-2-benzimidazolyl)-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide Formula: C21H24BrN5O MolecularWeight: 442.35216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C21H24BrN5O/c1-3-27-19-7-5-4-6-18(19)24-20(27)25-10-12-26(13-11-25)21(28)23-16-8-9-17(22)15(2)14-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,28)