3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-3-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-3-piperidyl]methanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C21H23N5OS/c27-19(25-13-9-16-6-1-2-7-17(16)14-25)18-8-5-12-26(15-18)21-23-22-20(28-21)24-10-3-4-11-24/h1-4,6-7,10-11,18H,5,8-9,12-15H2