5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one

Systemtic Name: 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one Openeye Name: 5-[2-[5-(4-chlorophenyl)-2-pyridyl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one CAS Name: 5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-3-methyl-1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolone IUPAC Name: 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one Traditional Name: 5-[2-[5-(4-chlorophenyl)-2-pyridyl]ethynyl]-3-methyl-1-(2-pyrrolidinoethyl)benzimidazol-2-one Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C#CC3=NC=C(C=C3)C4=CC=C(C=C4)Cl)N(C1=O)CCN5CCCC5

Isomeric SMILES

CN1C2=C(C=CC(=C2)C#CC3=NC=C(C=C3)C4=CC=C(C=C4)Cl)N(C1=O)CCN5CCCC5

InChI

InChI=1S/C27H25ClN4O/c1-30-26-18-20(5-13-25(26)32(27(30)33)17-16-31-14-2-3-15-31)4-11-24-12-8-22(19-29-24)21-6-9-23(28)10-7-21/h5-10,12-13,18-19H,2-3,14-17H2,1H3