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

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC5=C(C=C4)N=CN5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC5=C(C=C4)N=CN5)OC1

InChI

InChI=1S/C24H21N3O3/c28-24(18-8-10-21-22(14-18)30-12-4-11-29-21)27-23(16-5-2-1-3-6-16)17-7-9-19-20(13-17)26-15-25-19/h1-3,5-10,13-15,23H,4,11-12H2,(H,25,26)(H,27,28)