1-[4-(5-bromanylpyridin-2-yl)-5-(4-chlorophenyl)pyrimidin-2-yl]carbonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)-5-(4-chlorophenyl)pyrimidin-2-yl]carbonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[4-(5-bromo-2-pyridyl)-5-(4-chlorophenyl)pyrimidine-2-carbonyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[[4-(5-bromo-2-pyridinyl)-5-(4-chlorophenyl)-2-pyrimidinyl]-oxomethyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[4-(5-bromopyridin-2-yl)-5-(4-chlorophenyl)pyrimidine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[4-(5-bromo-2-pyridyl)-5-(4-chlorophenyl)pyrimidine-2-carbonyl]-4-phenyl-isonipecotonitrile Formula: C28H21BrClN5O MolecularWeight: 558.85624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)C3=NC=C(C(=N3)C4=NC=C(C=C4)Br)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)C3=NC=C(C(=N3)C4=NC=C(C=C4)Br)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H21BrClN5O/c29-21-8-11-24(32-16-21)25-23(19-6-9-22(30)10-7-19)17-33-26(34-25)27(36)35-14-12-28(18-31,13-15-35)20-4-2-1-3-5-20/h1-11,16-17H,12-15H2