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

Systemtic Name: 4-[bis(azanyl)methylideneamino]-3-isoquinolin-1-yl-benzoic acid Openeye Name: 4-guanidino-3-(1-isoquinolyl)benzoic acid CAS Name: 4-(diaminomethylideneamino)-3-(1-isoquinolinyl)benzoic acid IUPAC Name: 4-(diaminomethylideneamino)-3-isoquinolin-1-ylbenzoic acid Traditional Name: 4-guanidino-3-(1-isoquinolyl)benzoic acid Formula: C17H14N4O2 MolecularWeight: 306.31866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=C(C=CC(=C3)C(=O)O)N=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=C(C=CC(=C3)C(=O)O)N=C(N)N

InChI

InChI=1S/C17H14N4O2/c18-17(19)21-14-6-5-11(16(22)23)9-13(14)15-12-4-2-1-3-10(12)7-8-20-15/h1-9H,(H,22,23)(H4,18,19,21)