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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O3/c1-13(2)19(20-22-15-6-3-4-7-16(15)23-20)24-21(25)14-8-9-17-18(12-14)27-11-5-10-26-17/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,22,23)(H,24,25)