2-cyano-N-(3,4-dimethylphenyl)-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: 2-cyano-N-(3,4-dimethylphenyl)-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-cyano-N-(3,4-dimethylphenyl)-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-cyano-N-(3,4-dimethylphenyl)acetamide Formula: C30H30N6O MolecularWeight: 490.5988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C30H30N6O/c1-21-12-13-24(18-22(21)2)32-30(37)25(19-31)28-29(34-27-11-7-6-10-26(27)33-28)36-16-14-35(15-17-36)20-23-8-4-3-5-9-23/h3-13,18,25H,14-17,20H2,1-2H3,(H,32,37)