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

Systemtic Name: ethyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]cyclopentanecarboxylate CAS Name: 1-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]cyclopentane-1-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]cyclopentanecarboxylic acid ethyl ester Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CCOC(=O)C1(CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C19H22ClN5O3/c1-2-28-17(27)19(7-3-4-8-19)25-16(26)11-5-6-12-13(9-11)15(24-18(21)22)23-10-14(12)20/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,26)(H4,21,22,23,24)