N-(5-chloranyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-ethanoyl-4-ethyl-benzamide

Systemtic Name: N-(5-chloranyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-ethanoyl-4-ethyl-benzamide Openeye Name: 3-acetyl-N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-ethyl-benzamide CAS Name: 3-acetyl-N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-ethylbenzamide IUPAC Name: 3-acetyl-N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-ethylbenzamide Traditional Name: 3-acetyl-N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-ethyl-benzamide Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Cl)C(=O)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Cl)C(=O)C

InChI

InChI=1S/C20H21ClN2O2/c1-3-13-4-5-14(9-18(13)12(2)24)20(25)23-16-8-15-11-22-7-6-17(15)19(21)10-16/h4-5,8-10,22H,3,6-7,11H2,1-2H3,(H,23,25)