2-cyclohexyl-5-[[2-methyl-1-(phenylmethyl)indol-3-yl]methyl]-1H-pyrazol-3-one

Systemtic Name: 2-cyclohexyl-5-[[2-methyl-1-(phenylmethyl)indol-3-yl]methyl]-1H-pyrazol-3-one Openeye Name: 5-[(1-benzyl-2-methyl-indol-3-yl)methyl]-2-cyclohexyl-1H-pyrazol-3-one CAS Name: 2-cyclohexyl-5-[[2-methyl-1-(phenylmethyl)-3-indolyl]methyl]-1H-pyrazol-3-one IUPAC Name: 5-[(1-benzyl-2-methylindol-3-yl)methyl]-2-cyclohexyl-1H-pyrazol-3-one Traditional Name: 5-[(1-benzyl-2-methyl-indol-3-yl)methyl]-2-cyclohexyl-3-pyrazolin-3-one Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)CC4=CC(=O)N(N4)C5CCCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)CC4=CC(=O)N(N4)C5CCCCC5

InChI

InChI=1S/C26H29N3O/c1-19-24(16-21-17-26(30)29(27-21)22-12-6-3-7-13-22)23-14-8-9-15-25(23)28(19)18-20-10-4-2-5-11-20/h2,4-5,8-11,14-15,17,22,27H,3,6-7,12-13,16,18H2,1H3