ethyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(1,4-dichloroisoquinoline-7-carbonyl)amino]cyclopentanecarboxylate CAS Name: 1-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,4-dichloroisoquinoline-7-carbonyl)amino]cyclopentane-1-carboxylate Traditional Name: 1-[(1,4-dichloroisoquinoline-7-carbonyl)amino]cyclopentanecarboxylic acid ethyl ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CCOC(=O)C1(CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O3/c1-2-25-17(24)18(7-3-4-8-18)22-16(23)11-5-6-12-13(9-11)15(20)21-10-14(12)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)