6-chloranyl-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: 6-chloro-N-[2-(3-ethynylanilino)-2-oxo-ethyl]-N-methyl-chromane-3-carboxamide CAS Name: 6-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: 6-chloro-N-[2-(3-ethynylanilino)-2-keto-ethyl]-N-methyl-chroman-3-carboxamide Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H19ClN2O3/c1-3-14-5-4-6-18(9-14)23-20(25)12-24(2)21(26)16-10-15-11-17(22)7-8-19(15)27-13-16/h1,4-9,11,16H,10,12-13H2,2H3,(H,23,25)