N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]-4-[bis(azanyl)methylideneamino]benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]-4-[bis(azanyl)methylideneamino]benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-4-guanidino-benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]ethyl]-4-(diaminomethylideneamino)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]-4-(diaminomethylideneamino)benzamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-4-guanidino-benzamide Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2N)OCCNC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2N)OCCNC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C19H20N6O2/c20-17-16-11-15(6-3-12(16)7-8-23-17)27-10-9-24-18(26)13-1-4-14(5-2-13)25-19(21)22/h1-8,11H,9-10H2,(H2,20,23)(H,24,26)(H4,21,22,25)