tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-2-cyclopentyl-ethanoate

Systemtic Name: tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-2-cyclopentyl-acetate CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]-2-cyclopentylacetate Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C22H28ClN5O3/c1-22(2,3)31-20(30)17(12-6-4-5-7-12)27-19(29)13-8-9-14-15(10-13)18(28-21(24)25)26-11-16(14)23/h8-12,17H,4-7H2,1-3H3,(H,27,29)(H4,24,25,26,28)