4-[[4-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H29N5O2/c1-25(2)24(32)27-21-6-3-4-7-22(21)30(25)23(31)18-29-13-5-12-28(14-15-29)17-20-10-8-19(16-26)9-11-20/h3-4,6-11H,5,12-15,17-18H2,1-2H3,(H,27,32)