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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-[(2E)-2-methoxyiminopiperidin-1-yl]-3-methyl-phenyl]-4-methyl-pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-[(2E)-2-methoxyimino-1-piperidyl]-3-methyl-phenyl]-4-methyl-pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-[(2E)-2-methoxyimino-1-piperidinyl]-3-methylphenyl]-4-methylpentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-[(2E)-2-methoxyiminopiperidin-1-yl]-3-methylphenyl]-4-methylpentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-4-methyl-N-[3-methyl-4-[(2E)-2-methyloximinopiperidino]phenyl]valeramide Formula: C28H35N5O3 MolecularWeight: 489.6092

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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=NOC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CC(C)C)OC2=CC3=C(C=C2)C=CN=C3N)N\4CCCC/C4=N\OC

InChI

InChI=1S/C28H35N5O3/c1-18(2)15-25(36-22-10-8-20-12-13-30-27(29)23(20)17-22)28(34)31-21-9-11-24(19(3)16-21)33-14-6-5-7-26(33)32-35-4/h8-13,16-18,25H,5-7,14-15H2,1-4H3,(H2,29,30)(H,31,34)/b32-26+