3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-pyrrolidinyl]methyl]benzonitrile IUPAC Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidino]methyl]benzonitrile Formula: C22H28N6 MolecularWeight: 376.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H28N6/c23-15-18-6-5-7-19(14-18)16-27-13-9-20(17-27)25-22-24-10-8-21(26-22)28-11-3-1-2-4-12-28/h5-8,10,14,20H,1-4,9,11-13,16-17H2,(H,24,25,26)