1-[3,7-diphenyl-7-(pyrrolidin-1-ylmethyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

Systemtic Name: 1-[3,7-diphenyl-7-(pyrrolidin-1-ylmethyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Openeye Name: 1-[3,7-diphenyl-7-(pyrrolidin-1-ylmethyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone CAS Name: 1-[3,7-diphenyl-7-(1-pyrrolidinylmethyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone IUPAC Name: 1-[3,7-diphenyl-7-(pyrrolidin-1-ylmethyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Traditional Name: 1-[3,7-diphenyl-7-(pyrrolidinomethyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2CCCC(C2=N1)(CN3CCCC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C(C2CCCC(C2=N1)(CN3CCCC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O/c1-20(30)29-24(21-11-4-2-5-12-21)23-15-10-16-26(25(23)27-29,19-28-17-8-9-18-28)22-13-6-3-7-14-22/h2-7,11-14,23-24H,8-10,15-19H2,1H3