2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[[2-[(4-chlorophenyl)methyl]thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[2-[(4-chlorophenyl)methyl]-4-thiazolyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[[2-(4-chlorobenzyl)thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=CSC(=N3)CC4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC3=CSC(=N3)CC4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C21H20ClN3OS/c22-17-7-5-14(6-8-17)9-20-24-18(13-27-20)12-25-11-16-4-2-1-3-15(16)10-19(25)21(23)26/h1-8,13,19H,9-12H2,(H2,23,26)