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

Systemtic Name: N-[4-(2-azanylidenepiperidin-1-yl)phenyl]-2-(1-azanylisoquinolin-7-yl)oxy-4-methyl-pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-imino-1-piperidyl)phenyl]-4-methyl-pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-imino-1-piperidinyl)phenyl]-4-methylpentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-iminopiperidin-1-yl)phenyl]-4-methylpentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-iminopiperidino)phenyl]-4-methyl-valeramide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2=N)OC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2=N)OC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H31N5O2/c1-17(2)15-23(33-21-11-6-18-12-13-29-25(28)22(18)16-21)26(32)30-19-7-9-20(10-8-19)31-14-4-3-5-24(31)27/h6-13,16-17,23,27H,3-5,14-15H2,1-2H3,(H2,28,29)(H,30,32)