methyl 5-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[[5-(1-piperidyl)-8-isoquinolyl]carbamoyl]thiophene-2-carboxylate CAS Name: 5-[oxo-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]thiophene-2-carboxylate Traditional Name: 5-[(5-piperidino-8-isoquinolyl)carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(S1)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C21H21N3O3S/c1-27-21(26)19-8-7-18(28-19)20(25)23-16-5-6-17(24-11-3-2-4-12-24)14-9-10-22-13-15(14)16/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)