N-[3-azanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]pentanamide

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]pentanamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenyl-7-isoquinolyl]pentanamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenyl-7-isoquinolinyl]pentanamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenylisoquinolin-7-yl]pentanamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-phenyl-7-isoquinolyl]valeramide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCOC)N)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCOC)N)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3/c1-3-4-10-20(27)25-17-11-12-18-19(15-17)23(28)26(13-14-29-2)22(24)21(18)16-8-6-5-7-9-16/h5-9,11-12,15H,3-4,10,13-14,24H2,1-2H3,(H,25,27)