3-[4-[3,4-dihydro-2H-1,5-benzodioxepin-3-yl(methyl)amino]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[3,4-dihydro-2H-1,5-benzodioxepin-3-yl(methyl)amino]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[3,4-dihydro-2H-1,5-benzodioxepin-3-yl(methyl)amino]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[3,4-dihydro-2H-1,5-benzodioxepin-3-yl(methyl)amino]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[3,4-dihydro-2H-1,5-benzodioxepin-3-yl(methyl)amino]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[3,4-dihydro-2H-1,5-benzodioxepin-3-yl(methyl)amino]butyl]-1H-indole-5-carbonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CNC2=C1C=C(C=C2)C#N)C3COC4=CC=CC=C4OC3

Isomeric SMILES

CN(CCCCC1=CNC2=C1C=C(C=C2)C#N)C3COC4=CC=CC=C4OC3

InChI

InChI=1S/C23H25N3O2/c1-26(19-15-27-22-7-2-3-8-23(22)28-16-19)11-5-4-6-18-14-25-21-10-9-17(13-24)12-20(18)21/h2-3,7-10,12,14,19,25H,4-6,11,15-16H2,1H3