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

Systemtic Name: 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]cyclopentanecarboxylic acid CAS Name: 1-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]cyclopentanecarboxylic acid Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H18ClN5O3/c18-12-8-21-13(22-16(19)20)11-7-9(3-4-10(11)12)14(24)23-17(15(25)26)5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H,23,24)(H,25,26)(H4,19,20,21,22)