N-[(3S)-3-(6-bromanyl-1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(3S)-3-(6-bromanyl-1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3S)-3-(6-bromo-1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3S)-3-(6-bromo-1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3S)-3-(6-bromo-1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3S)-3-(6-bromo-1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=C(N4)C=C(C=C5)Br

Isomeric SMILES

C1C[C@@H](CC(C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=C(N4)C=C(C=C5)Br

InChI

InChI=1S/C22H22BrN3O3/c23-15-5-6-17-18(12-15)26-21(25-17)13-2-1-3-16(10-13)24-22(27)14-4-7-19-20(11-14)29-9-8-28-19/h4-7,11-13,16H,1-3,8-10H2,(H,24,27)(H,25,26)/t13-,16?/m0/s1