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N-[1-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

N-[1-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name:N-[1-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
Openeye Name:N-[1-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CAS Name:N-[1-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
IUPAC Name:N-[1-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
Traditional Name:N-[1-(1-adamantyl)ethyl]-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:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]


Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]


InChI

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


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