[4-(5-azanyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [4-(5-azanyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-(5-amino-1H-1,2,4-triazol-3-yl)-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazino]-(4-tert-butylphenyl)methanone Formula: C17H24N6O MolecularWeight: 328.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NNC(=N3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NNC(=N3)N

InChI

InChI=1S/C17H24N6O/c1-17(2,3)13-6-4-12(5-7-13)14(24)22-8-10-23(11-9-22)16-19-15(18)20-21-16/h4-7H,8-11H2,1-3H3,(H3,18,19,20,21)