4-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]-N-(3-phenylpropyl)benzamide

Systemtic Name: 4-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]-N-(3-phenylpropyl)benzamide Openeye Name: 4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridyl]-N-(3-phenylpropyl)benzamide CAS Name: 4-[3-(2,5-dimethyl-1-pyrrolyl)-2-pyridinyl]-N-(3-phenylpropyl)benzamide IUPAC Name: 4-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]-N-(3-phenylpropyl)benzamide Traditional Name: 4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridyl]-N-(3-phenylpropyl)benzamide Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(N=CC=C2)C3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=C(N=CC=C2)C3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O/c1-20-12-13-21(2)30(20)25-11-7-18-28-26(25)23-14-16-24(17-15-23)27(31)29-19-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-18H,6,10,19H2,1-2H3,(H,29,31)