4-[[4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-1,3-dioxo-isoindoline-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1,3-diketo-2-methyl-isoindoline-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O3/c1-25-22(29)19-8-7-18(13-20(19)23(25)30)21(28)27-10-2-9-26(11-12-27)15-17-5-3-16(14-24)4-6-17/h3-8,13H,2,9-12,15H2,1H3