2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(4-chloro-1-guanidino-isoquinoline-7-carbonyl)anilino)acetic acid CAS Name: 2-(N-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]anilino)acetic acid Traditional Name: 2-(N-(4-chloro-1-guanidino-isoquinoline-7-carbonyl)anilino)acetic acid Formula: C19H16ClN5O3 MolecularWeight: 397.81504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O3/c20-15-9-23-17(24-19(21)22)14-8-11(6-7-13(14)15)18(28)25(10-16(26)27)12-4-2-1-3-5-12/h1-9H,10H2,(H,26,27)(H4,21,22,23,24)