2-[(3-ethynylphenyl)amino]-N-pentan-3-yl-propanamide

Systemtic Name: 2-[(3-ethynylphenyl)amino]-N-pentan-3-yl-propanamide Openeye Name: N-(1-ethylpropyl)-2-(3-ethynylanilino)propanamide CAS Name: 2-(3-ethynylanilino)-N-pentan-3-ylpropanamide IUPAC Name: 2-(3-ethynylanilino)-N-pentan-3-ylpropanamide Traditional Name: N-(1-ethylpropyl)-2-(3-ethynylanilino)propionamide Formula: C16H22N2O MolecularWeight: 258.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C(C)NC1=CC=CC(=C1)C#C

Isomeric SMILES

CCC(CC)NC(=O)C(C)NC1=CC=CC(=C1)C#C

InChI

InChI=1S/C16H22N2O/c1-5-13-9-8-10-15(11-13)17-12(4)16(19)18-14(6-2)7-3/h1,8-12,14,17H,6-7H2,2-4H3,(H,18,19)