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

Systemtic Name: N'-[3-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)-1H-indol-3-yl]propyl]-N-isocyano-2-pyridin-4-yl-pyrrolidine-1-carboximidamide Openeye Name: N'-[3-[5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-isocyano-2-(4-pyridyl)pyrrolidine-1-carboxamidine CAS Name: N'-[3-[2-(3,5-dimethylphenyl)-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1H-indol-3-yl]propyl]-N-isocyano-2-pyridin-4-yl-1-pyrrolidinecarboximidamide IUPAC Name: N'-[3-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-indol-3-yl]propyl]-N-isocyano-2-pyridin-4-ylpyrrolidine-1-carboximidamide Traditional Name: N'-[3-[2-(3,5-dimethylphenyl)-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1H-indol-3-yl]propyl]-N-isocyano-2-(4-pyridyl)pyrrolidine-1-carboxamidine Formula: C38H45N7O MolecularWeight: 615.8102

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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)N4CCCC4)CCCN=C(N[N+]#[C-])N5CCCC5C6=CC=NC=C6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCCC4)CCCN=C(N[N+]#[C-])N5CCCC5C6=CC=NC=C6)C

InChI

InChI=1S/C38H45N7O/c1-26-22-27(2)24-29(23-26)35-31(32-25-30(12-13-33(32)42-35)38(3,4)36(46)44-19-6-7-20-44)10-8-16-41-37(43-39-5)45-21-9-11-34(45)28-14-17-40-18-15-28/h12-15,17-18,22-25,34,42H,6-11,16,19-21H2,1-4H3,(H,41,43)