N-[4-(2-azanylidenepiperidin-1-yl)-3-methyl-phenyl]-2-(1-azanylisoquinolin-7-yl)oxy-4-methyl-pentanamide

Systemtic Name: N-[4-(2-azanylidenepiperidin-1-yl)-3-methyl-phenyl]-2-(1-azanylisoquinolin-7-yl)oxy-4-methyl-pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-imino-1-piperidyl)-3-methyl-phenyl]-4-methyl-pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-imino-1-piperidinyl)-3-methylphenyl]-4-methylpentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-iminopiperidin-1-yl)-3-methylphenyl]-4-methylpentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-iminopiperidino)-3-methyl-phenyl]-4-methyl-valeramide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CC(C)C)OC2=CC3=C(C=C2)C=CN=C3N)N4CCCCC4=N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CC(C)C)OC2=CC3=C(C=C2)C=CN=C3N)N4CCCCC4=N

InChI

InChI=1S/C27H33N5O2/c1-17(2)14-24(34-21-9-7-19-11-12-30-26(29)22(19)16-21)27(33)31-20-8-10-23(18(3)15-20)32-13-5-4-6-25(32)28/h7-12,15-17,24,28H,4-6,13-14H2,1-3H3,(H2,29,30)(H,31,33)