5-(3-chlorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 5-(3-chlorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]benzenecarbonitrile Openeye Name: 5-(3-chlorophenyl)-2-[(1-pyrimidin-2-yl-4-piperidyl)amino]benzonitrile CAS Name: 5-(3-chlorophenyl)-2-[[1-(2-pyrimidinyl)-4-piperidinyl]amino]benzonitrile IUPAC Name: 5-(3-chlorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]benzonitrile Traditional Name: 5-(3-chlorophenyl)-2-[[1-(2-pyrimidyl)-4-piperidyl]amino]benzonitrile Formula: C22H20ClN5 MolecularWeight: 389.8807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)C#N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)C#N)C4=NC=CC=N4

InChI

InChI=1S/C22H20ClN5/c23-19-4-1-3-16(14-19)17-5-6-21(18(13-17)15-24)27-20-7-11-28(12-8-20)22-25-9-2-10-26-22/h1-6,9-10,13-14,20,27H,7-8,11-12H2