3-[4-[3-(2-oxidanylidenechromen-6-yl)oxypropylamino]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[3-(2-oxidanylidenechromen-6-yl)oxypropylamino]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[3-(2-oxochromen-6-yl)oxypropylamino]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[3-[(2-oxo-1-benzopyran-6-yl)oxy]propylamino]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[3-(2-oxochromen-6-yl)oxypropylamino]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[3-(2-ketochromen-6-yl)oxypropylamino]butyl]-1H-indole-5-carbonitrile Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C(=CN2)CCCCNCCCOC3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1=CC2=C(C=C1C#N)C(=CN2)CCCCNCCCOC3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C25H25N3O3/c26-16-18-5-8-23-22(14-18)20(17-28-23)4-1-2-11-27-12-3-13-30-21-7-9-24-19(15-21)6-10-25(29)31-24/h5-10,14-15,17,27-28H,1-4,11-13H2