1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-chloro-1-guanidino-isoquinoline-7-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-chloro-1-guanidino-isoquinoline-7-carbonyl)proline Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)C(=O)O

InChI

InChI=1S/C16H16ClN5O3/c17-11-7-20-13(21-16(18)19)10-6-8(3-4-9(10)11)14(23)22-5-1-2-12(22)15(24)25/h3-4,6-7,12H,1-2,5H2,(H,24,25)(H4,18,19,20,21)