N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-2-ynamide

Systemtic Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-2-ynamide Openeye Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-2-ynamide CAS Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-butynamide IUPAC Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-2-ynamide Traditional Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-2-ynamide Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1CC(CC2=C1C=NN2C3=CC=C(C=C3)OC)(C)C

Isomeric SMILES

CC#CC(=O)NC1CC(CC2=C1C=NN2C3=CC=C(C=C3)OC)(C)C

InChI

InChI=1S/C20H23N3O2/c1-5-6-19(24)22-17-11-20(2,3)12-18-16(17)13-21-23(18)14-7-9-15(25-4)10-8-14/h7-10,13,17H,11-12H2,1-4H3,(H,22,24)