[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: (4-methylpiperazin-1-yl)-[5-phenyl-1-(p-tolyl)-1,2,4-triazol-3-yl]methanone CAS Name: [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (4-methylpiperazino)-[5-phenyl-1-(p-tolyl)-1,2,4-triazol-3-yl]methanone Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-16-8-10-18(11-9-16)26-20(17-6-4-3-5-7-17)22-19(23-26)21(27)25-14-12-24(2)13-15-25/h3-11H,12-15H2,1-2H3