4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide Openeye Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(1R)-1-methyl-4-(3-pyridyl)butyl]benzamide CAS Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(2R)-5-(3-pyridinyl)pentan-2-yl]benzamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide Traditional Name: 4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(1R)-1-methyl-4-(3-pyridyl)butyl]benzamide Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CN=CC=C1)NC(=O)C2=CC(=C(C=C2)C3=CC(=C(C=C3)OC)OC)C#C

Isomeric SMILES

C[C@H](CCCC1=CN=CC=C1)NC(=O)C2=CC(=C(C=C2)C3=CC(=C(C=C3)OC)OC)C#C

InChI

InChI=1S/C27H28N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h1,7,10-19H,6,8-9H2,2-4H3,(H,29,30)/t19-/m1/s1