N-(4-butylphenyl)-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(4-butylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(4-butylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(4-butylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-butylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C23H29ClN4O MolecularWeight: 412.95556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

InChI

InChI=1S/C23H29ClN4O/c1-2-3-4-16-5-7-19(8-6-16)26-20(29)22-10-17-9-18(11-22)13-23(12-17,14-22)28-15-25-21(24)27-28/h5-8,15,17-18H,2-4,9-14H2,1H3,(H,26,29)