N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)OC1

InChI

InChI=1S/C23H19N3O3/c27-23(16-8-11-20-21(14-16)29-13-3-12-28-20)24-17-9-6-15(7-10-17)22-25-18-4-1-2-5-19(18)26-22/h1-2,4-11,14H,3,12-13H2,(H,24,27)(H,25,26)