[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(1-phenyl-1,2,4-triazol-3-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(1-phenyl-1,2,4-triazol-3-yl)methanone Openeye Name: (1-phenyl-1,2,4-triazol-3-yl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazinyl]-(1-phenyl-1,2,4-triazol-3-yl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(1-phenyl-1,2,4-triazol-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)piperazino]-(1-phenyl-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)CN2CCN(CC2)C(=O)C3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-17-7-9-18(10-8-17)15-24-11-13-25(14-12-24)21(27)20-22-16-26(23-20)19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3