2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-3-quinoxalin-2-yl-propanenitrile

Systemtic Name: 2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-3-quinoxalin-2-yl-propanenitrile Openeye Name: 2-[(2S)-4-benzoyl-2-methyl-piperazin-1-yl]-3-oxo-3-quinoxalin-2-yl-propanenitrile CAS Name: 2-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-3-oxo-3-(2-quinoxalinyl)propanenitrile IUPAC Name: 2-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-3-oxo-3-quinoxalin-2-ylpropanenitrile Traditional Name: 2-[(2S)-4-benzoyl-2-methyl-piperazino]-3-keto-3-quinoxalin-2-yl-propionitrile Formula: C23H21N5O2 MolecularWeight: 399.44514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=O)C2=NC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(C#N)C(=O)C2=NC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-16-15-27(23(30)17-7-3-2-4-8-17)11-12-28(16)21(13-24)22(29)20-14-25-18-9-5-6-10-19(18)26-20/h2-10,14,16,21H,11-12,15H2,1H3/t16-,21?/m0/s1