4-[[2-methyl-5-[(3-oxidanylidenepiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-methyl-5-[(3-oxidanylidenepiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-methyl-5-[(3-oxopiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-methyl-5-[(3-oxo-1-piperazinyl)methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-methyl-5-[(3-oxopiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(3-ketopiperazino)methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=C(C=C2)C#N)CN3CCNC(=O)C3

Isomeric SMILES

CC1=NC=C(N1CC2=CC=C(C=C2)C#N)CN3CCNC(=O)C3

InChI

InChI=1S/C17H19N5O/c1-13-20-9-16(11-21-7-6-19-17(23)12-21)22(13)10-15-4-2-14(8-18)3-5-15/h2-5,9H,6-7,10-12H2,1H3,(H,19,23)