3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C30H32FN3O3 MolecularWeight: 501.591783

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H32FN3O3/c1-37-20-19-34-28(23-11-13-24(31)14-12-23)27(25-9-5-6-10-26(25)29(34)35)30(36)33-17-15-32(16-18-33)21-22-7-3-2-4-8-22/h2-14,27-28H,15-21H2,1H3