4-(1-adamantylcarbonylamino)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-(1-adamantylcarbonylamino)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-(adamantane-1-carbonylamino)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-(adamantane-1-carbonylamino)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-(adamantane-1-carbonylamino)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C20H22N5O2- MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=NC5=NC=NN5)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=NC5=NC=NN5)[O-]

InChI

InChI=1S/C20H23N5O2/c26-17(24-19-21-11-22-25-19)15-1-3-16(4-2-15)23-18(27)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,23,27)(H2,21,22,24,25,26)/p-1