phenyl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: phenyl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: phenyl-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]methanone CAS Name: [4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: phenyl-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]methanone Traditional Name: phenyl-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazino]methanone Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H21N5O2/c27-20(18-4-2-1-3-5-18)24-10-12-25(13-11-24)21(28)19-8-6-17(7-9-19)14-26-16-22-15-23-26/h1-9,15-16H,10-14H2