2-chloranyl-5-(2,5-dimethylpyrrol-1-yl)-N-(2,4-dimorpholin-4-ylphenyl)benzamide

Systemtic Name: 2-chloranyl-5-(2,5-dimethylpyrrol-1-yl)-N-(2,4-dimorpholin-4-ylphenyl)benzamide Openeye Name: 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(2,4-dimorpholinophenyl)benzamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-2-chloro-5-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(2,4-dimorpholin-4-ylphenyl)benzamide Traditional Name: 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(2,4-dimorpholinophenyl)benzamide Formula: C27H31ClN4O3 MolecularWeight: 495.01304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)C

InChI

InChI=1S/C27H31ClN4O3/c1-19-3-4-20(2)32(19)22-5-7-24(28)23(17-22)27(33)29-25-8-6-21(30-9-13-34-14-10-30)18-26(25)31-11-15-35-16-12-31/h3-8,17-18H,9-16H2,1-2H3,(H,29,33)