3-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]indol-1-yl]propanenitrile Openeye Name: 3-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]indol-1-yl]propanenitrile CAS Name: 3-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-indolyl]propanenitrile IUPAC Name: 3-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]indol-1-yl]propanenitrile Traditional Name: 3-[5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]indol-1-yl]propionitrile Formula: C20H23ClN4O MolecularWeight: 370.87582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N(C=C3)CCC#N)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N(C=C3)CCC#N)CO)Cl

InChI

InChI=1S/C20H23ClN4O/c1-2-3-5-19-23-20(21)18(14-26)25(19)13-15-6-7-17-16(12-15)8-11-24(17)10-4-9-22/h6-8,11-12,26H,2-5,10,13-14H2,1H3