N'-[2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-3-pyridin-4-yl-pyrrolidine-1-carboximidamide

Systemtic Name: N'-[2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-3-pyridin-4-yl-pyrrolidine-1-carboximidamide Openeye Name: N'-[2-[5-[2-(3-azabicyclo[2.2.2]octan-3-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-3-(4-pyridyl)pyrrolidine-1-carboxamidine CAS Name: N'-[2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-3-pyridin-4-yl-1-pyrrolidinecarboximidamide IUPAC Name: N'-[2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-3-pyridin-4-ylpyrrolidine-1-carboximidamide Traditional Name: N'-[2-[5-[2-(3-azabicyclo[2.2.2]octan-3-yl)-2-keto-1,1-dimethyl-ethyl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-3-(4-pyridyl)pyrrolidine-1-carboxamidine Formula: C40H50N6O MolecularWeight: 630.8646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CC5CCC4CC5)C(C)CN=C(N)N6CCC(C6)C7=CC=NC=C7)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CC5CCC4CC5)C(C)CN=C(N)N6CCC(C6)C7=CC=NC=C7)C

InChI

InChI=1S/C40H50N6O/c1-25-18-26(2)20-31(19-25)37-36(27(3)22-43-39(41)45-17-14-30(24-45)29-12-15-42-16-13-29)34-21-32(8-11-35(34)44-37)40(4,5)38(47)46-23-28-6-9-33(46)10-7-28/h8,11-13,15-16,18-21,27-28,30,33,44H,6-7,9-10,14,17,22-24H2,1-5H3,(H2,41,43)