4-[1-(4-azanylbutyl)indol-3-yl]-2-oxidanylidene-3-(4-phenoxyphenyl)-1H-imidazole-5-carbonitrile

Systemtic Name: 4-[1-(4-azanylbutyl)indol-3-yl]-2-oxidanylidene-3-(4-phenoxyphenyl)-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-(4-aminobutyl)indol-3-yl]-2-oxo-3-(4-phenoxyphenyl)-1H-imidazole-5-carbonitrile CAS Name: 4-[1-(4-aminobutyl)-3-indolyl]-2-oxo-3-(4-phenoxyphenyl)-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-(4-aminobutyl)indol-3-yl]-2-oxo-3-(4-phenoxyphenyl)-1H-imidazole-5-carbonitrile Traditional Name: 5-[1-(4-aminobutyl)indol-3-yl]-2-keto-1-(4-phenoxyphenyl)-4-imidazoline-4-carbonitrile Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCCN

InChI

InChI=1S/C28H25N5O2/c29-16-6-7-17-32-19-24(23-10-4-5-11-26(23)32)27-25(18-30)31-28(34)33(27)20-12-14-22(15-13-20)35-21-8-2-1-3-9-21/h1-5,8-15,19H,6-7,16-17,29H2,(H,31,34)