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

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylamino)butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylamino)butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylamino)butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylamino)butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-ylamino)butyl]-1H-indole-5-carbonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C2O1)NCCCCC3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

C1C(COC2=CC=CC=C2O1)NCCCCC3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C22H23N3O2/c23-12-16-8-9-20-19(11-16)17(13-25-20)5-3-4-10-24-18-14-26-21-6-1-2-7-22(21)27-15-18/h1-2,6-9,11,13,18,24-25H,3-5,10,14-15H2