1-[3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3-(hydroxymethyl)-3-phenethyl-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[3-(hydroxymethyl)-3-phenethyl-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[3-(hydroxymethyl)-3-phenethylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-(3-methylol-3-phenethyl-piperidino)-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCN2C=NC=N2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCN2C=NC=N2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C20H28N4O2/c25-15-20(11-9-18-6-2-1-3-7-18)10-5-12-23(14-20)19(26)8-4-13-24-17-21-16-22-24/h1-3,6-7,16-17,25H,4-5,8-15H2