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

Systemtic Name: 2-(2-methoxyethyl)-3-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-(2-methoxyethyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C30H33N3O3 MolecularWeight: 483.60132

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O3/c1-36-21-20-33-28(24-12-6-3-7-13-24)27(25-14-8-9-15-26(25)29(33)34)30(35)32-18-16-31(17-19-32)22-23-10-4-2-5-11-23/h2-15,27-28H,16-22H2,1H3