4-(2-azanylidenepyrrolidin-1-yl)-N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]benzamide

Systemtic Name: 4-(2-azanylidenepyrrolidin-1-yl)-N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-4-(2-iminopyrrolidin-1-yl)benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]ethyl]-4-(2-imino-1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]-4-(2-iminopyrrolidin-1-yl)benzamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-4-(2-iminopyrrolidino)benzamide Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=N)N(C1)C2=CC=C(C=C2)C(=O)NCCOC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C1CC(=N)N(C1)C2=CC=C(C=C2)C(=O)NCCOC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C22H23N5O2/c23-20-2-1-12-27(20)17-6-3-16(4-7-17)22(28)26-11-13-29-18-8-5-15-9-10-25-21(24)19(15)14-18/h3-10,14,23H,1-2,11-13H2,(H2,24,25)(H,26,28)