1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-methyl-5-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carbonitrile CAS Name: 1-methyl-5-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-methyl-5-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,2,4-triazole-3-carbonitrile Formula: C19H26N6O MolecularWeight: 354.44934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C#N)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=NC(=N1)C#N)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C19H26N6O/c1-24-19(22-18(14-20)23-24)21-9-6-12-26-17-8-5-7-16(13-17)15-25-10-3-2-4-11-25/h5,7-8,13H,2-4,6,9-12,15H2,1H3,(H,21,22,23)