ethyl 2-[4-[1-(4-azanylbutyl)indol-3-yl]-5-cyano-2-oxidanylidene-1H-imidazol-3-yl]benzoate

Systemtic Name: ethyl 2-[4-[1-(4-azanylbutyl)indol-3-yl]-5-cyano-2-oxidanylidene-1H-imidazol-3-yl]benzoate Openeye Name: ethyl 2-[4-[1-(4-aminobutyl)indol-3-yl]-5-cyano-2-oxo-1H-imidazol-3-yl]benzoate CAS Name: 2-[4-[1-(4-aminobutyl)-3-indolyl]-5-cyano-2-oxo-1H-imidazol-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(4-aminobutyl)indol-3-yl]-5-cyano-2-oxo-1H-imidazol-3-yl]benzoate Traditional Name: 2-[5-[1-(4-aminobutyl)indol-3-yl]-4-cyano-2-keto-4-imidazolin-1-yl]benzoic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2C(=C(NC2=O)C#N)C3=CN(C4=CC=CC=C43)CCCCN

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2C(=C(NC2=O)C#N)C3=CN(C4=CC=CC=C43)CCCCN

InChI

InChI=1S/C25H25N5O3/c1-2-33-24(31)18-10-4-6-12-22(18)30-23(20(15-27)28-25(30)32)19-16-29(14-8-7-13-26)21-11-5-3-9-17(19)21/h3-6,9-12,16H,2,7-8,13-14,26H2,1H3,(H,28,32)