1-[(3-methoxyphenyl)methyl]-4-[2-(1H-1,2,4-triazol-5-yl)phenyl]carbonyl-piperazin-2-one

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[2-(1H-1,2,4-triazol-5-yl)phenyl]carbonyl-piperazin-2-one Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[2-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[oxo-[2-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-2-piperazinone IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[2-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one Traditional Name: 1-m-anisyl-4-[2-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2=O)C(=O)C3=CC=CC=C3C4=NC=NN4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2=O)C(=O)C3=CC=CC=C3C4=NC=NN4

InChI

InChI=1S/C21H21N5O3/c1-29-16-6-4-5-15(11-16)12-25-9-10-26(13-19(25)27)21(28)18-8-3-2-7-17(18)20-22-14-23-24-20/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,23,24)