N-(1-adamantylmethyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-15-6-19(2-3-20(15)24)29-14-27-5-4-21(26-27)22(28)25-13-23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,16-18H,7-14H2,1H3,(H,25,28)