3-[8-[[1-(2-azanylethanoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-(2-azanylethanoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(2-aminoacetyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(2-amino-1-oxoethyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(2-aminoacetyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-glycyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)CN

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)CN

InChI

InChI=1S/C23H23N5O/c24-13-16-2-1-3-17(10-16)19-11-18-4-7-26-15-21(18)22(12-19)27-20-5-8-28(9-6-20)23(29)14-25/h1-4,7,10-12,15,20,27H,5-6,8-9,14,25H2