1-isoquinolin-3-yl-2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-isoquinolin-3-yl-2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione Openeye Name: 1-[(2S)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(3-isoquinolyl)ethane-1,2-dione CAS Name: 1-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-2-(3-isoquinolinyl)ethane-1,2-dione IUPAC Name: 1-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-isoquinolin-3-ylethane-1,2-dione Traditional Name: 1-[(2S)-4-benzoyl-2-methyl-piperazino]-2-(3-isoquinolyl)ethane-1,2-dione Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=CC3=CC=CC=C3C=N2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C(=O)C2=CC3=CC=CC=C3C=N2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-16-15-25(22(28)17-7-3-2-4-8-17)11-12-26(16)23(29)21(27)20-13-18-9-5-6-10-19(18)14-24-20/h2-10,13-14,16H,11-12,15H2,1H3/t16-/m0/s1