(phenylmethyl) (3S)-3-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=CC=CC=C4CN3C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c32-27(30-17-15-29(16-18-30)25-13-5-2-6-14-25)26-19-23-11-7-8-12-24(23)20-31(26)28(33)34-21-22-9-3-1-4-10-22/h1-14,26H,15-21H2/t26-/m0/s1