3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]-4-methoxy-benzoic acid

Systemtic Name: 3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]-4-methoxy-benzoic acid Openeye Name: 3-(4-chloro-1-guanidino-7-isoquinolyl)-4-methoxy-benzoic acid CAS Name: 3-[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]-4-methoxybenzoic acid Traditional Name: 3-(4-chloro-1-guanidino-7-isoquinolyl)-4-methoxy-benzoic acid Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C18H15ClN4O3/c1-26-15-5-3-10(17(24)25)7-12(15)9-2-4-11-13(6-9)16(23-18(20)21)22-8-14(11)19/h2-8H,1H3,(H,24,25)(H4,20,21,22,23)