3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carbonitrile

Systemtic Name: 3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carbonitrile Openeye Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carbonitrile CAS Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carbonitrile IUPAC Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carbonitrile Traditional Name: 3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-5-carbonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C#N)CCCCN

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C#N)CCCCN

InChI

InChI=1S/C21H21N3O2/c22-8-2-1-3-16-17-11-14(13-23)4-6-18(17)24-21(16)15-5-7-19-20(12-15)26-10-9-25-19/h4-7,11-12,24H,1-3,8-10,22H2