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

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-4-[(1-ethanimidoyl-4-piperidyl)oxy]benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]ethyl]-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]-N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]benzamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C25H29N5O3/c1-17(26)30-13-9-21(10-14-30)33-20-5-3-19(4-6-20)25(31)29-12-15-32-22-7-2-18-8-11-28-24(27)23(18)16-22/h2-8,11,16,21,26H,9-10,12-15H2,1H3,(H2,27,28)(H,29,31)