4-(4-ethanoylpiperazin-1-yl)carbonyl-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)carbonyl-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-acetylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-acetylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-acetylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-18(29)26-12-14-27(15-13-26)25(31)22-20-10-6-7-11-21(20)24(30)28(16-17-32-2)23(22)19-8-4-3-5-9-19/h3-11,22-23H,12-17H2,1-2H3