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]-N-cyano-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]-N-cyano-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]-N-cyano-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]-N-cyano-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]-N-cyano-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]-N-cyano-3-(4-pyridyl)pyrrolidine-1-carboxamidine Formula: C41H49N7O MolecularWeight: 655.87406

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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(NC#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(NC#N)N6CCC(C6)C7=CC=NC=C7)C

InChI

InChI=1S/C41H49N7O/c1-26-18-27(2)20-32(19-26)38-37(28(3)22-44-40(45-25-42)47-17-14-31(24-47)30-12-15-43-16-13-30)35-21-33(8-11-36(35)46-38)41(4,5)39(49)48-23-29-6-9-34(48)10-7-29/h8,11-13,15-16,18-21,28-29,31,34,46H,6-7,9-10,14,17,22-24H2,1-5H3,(H,44,45)