N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCCC3=NC4=CC=CC=C4N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCCC3=NC4=CC=CC=C4N3)Cl)OC1

InChI

InChI=1S/C20H20ClN3O3/c21-14-11-13(12-17-19(14)27-10-4-9-26-17)20(25)22-8-3-7-18-23-15-5-1-2-6-16(15)24-18/h1-2,5-6,11-12H,3-4,7-10H2,(H,22,25)(H,23,24)