N-[4-(2-azanylethoxy)-3-(4-chloranyl-2-methyl-pyrazol-3-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(2-azanylethoxy)-3-(4-chloranyl-2-methyl-pyrazol-3-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(2-aminoethoxy)-3-(4-chloro-2-methyl-pyrazol-3-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(2-aminoethoxy)-3-(4-chloro-2-methyl-3-pyrazolyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-aminoethoxy)-3-(4-chloro-2-methylpyrazol-3-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(2-aminoethoxy)-3-(4-chloro-2-methyl-pyrazol-3-yl)phenyl]adamantane-1-carboxamide Formula: C23H29ClN4O2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OCCN

Isomeric SMILES

CN1C(=C(C=N1)Cl)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OCCN

InChI

InChI=1S/C23H29ClN4O2/c1-28-21(19(24)13-26-28)18-9-17(2-3-20(18)30-5-4-25)27-22(29)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-3,9,13-16H,4-8,10-12,25H2,1H3,(H,27,29)