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

Systemtic Name: 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)methylamino]cyclopentanecarboxylic acid CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]methylamino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]methylamino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)methylamino]cyclopentanecarboxylic acid Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NCC2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1CCC(C1)(C(=O)O)NCC2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H20ClN5O2/c18-13-9-21-14(23-16(19)20)12-7-10(3-4-11(12)13)8-22-17(15(24)25)5-1-2-6-17/h3-4,7,9,22H,1-2,5-6,8H2,(H,24,25)(H4,19,20,21,23)