3-[[4-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]piperidino]methyl]benzonitrile Formula: C23H28N8 MolecularWeight: 416.52202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)C4CCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)C4CCN(CC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C23H28N8/c24-14-18-3-1-4-19(13-18)15-29-9-5-20(6-10-29)30-7-2-8-31(12-11-30)23-21-22(26-16-25-21)27-17-28-23/h1,3-4,13,16-17,20H,2,5-12,15H2,(H,25,26,27,28)