N-(1-adamantylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(1-adamantylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(1-adamantylmethyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-24(11-21-8-14-4-15(9-21)6-16(5-14)10-21)20(27)17-2-3-18(19(7-17)26(28)29)25-13-22-12-23-25/h2-3,7,12-16H,4-6,8-11H2,1H3