N-[2-(2-azanyl-1,3-thiazol-4-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(2-azanyl-1,3-thiazol-4-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(2-aminothiazol-4-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[2-(2-amino-4-thiazolyl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(2-aminothiazol-4-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)isoxazole-3-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NCCC4=CSC(=N4)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NCCC4=CSC(=N4)N

InChI

InChI=1S/C19H21N5O2S/c20-19-22-15(12-27-19)5-7-21-18(25)17-9-16(26-23-17)11-24-8-6-13-3-1-2-4-14(13)10-24/h1-4,9,12H,5-8,10-11H2,(H2,20,22)(H,21,25)