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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)carbonyl-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazinyl)-oxomethyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-3-26-13-15-27(16-14-26)25(30)22-20-11-7-8-12-21(20)24(29)28(17-18-31-2)23(22)19-9-5-4-6-10-19/h4-12,22-23H,3,13-18H2,1-2H3