2-[1-(hydroxymethyl)-4-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl]benzenecarbonitrile

Systemtic Name: 2-[1-(hydroxymethyl)-4-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl]benzenecarbonitrile Openeye Name: 2-[1-(hydroxymethyl)-4-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl]benzonitrile CAS Name: 2-[1-(hydroxymethyl)-4-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl]benzonitrile IUPAC Name: 2-[1-(hydroxymethyl)-4-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl]benzonitrile Traditional Name: 2-(1-methylol-4-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)benzonitrile Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=NN=C(N2C3=CC=CC=C3C(=N1)C4=CC=CC=C4C#N)CO

Isomeric SMILES

CCCC1C2=NN=C(N2C3=CC=CC=C3C(=N1)C4=CC=CC=C4C#N)CO

InChI

InChI=1S/C21H19N5O/c1-2-7-17-21-25-24-19(13-27)26(21)18-11-6-5-10-16(18)20(23-17)15-9-4-3-8-14(15)12-22/h3-6,8-11,17,27H,2,7,13H2,1H3