1-[4-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]piperidin-4-amine

Systemtic Name: 1-[4-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]piperidin-4-amine Openeye Name: 1-[4-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]piperidin-4-amine CAS Name: 1-[4-[8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]phenyl]-4-piperidinamine IUPAC Name: 1-[4-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]piperidin-4-amine Traditional Name: [1-[4-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]-4-piperidyl]amine Formula: C28H24N6 MolecularWeight: 444.53036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC=C(C=C2)N3C=NC4=CN=C5C=CC(=CC5=C43)C#CC6=CN=CC=C6

Isomeric SMILES

C1CN(CCC1N)C2=CC=C(C=C2)N3C=NC4=CN=C5C=CC(=CC5=C43)C#CC6=CN=CC=C6

InChI

InChI=1S/C28H24N6/c29-22-11-14-33(15-12-22)23-6-8-24(9-7-23)34-19-32-27-18-31-26-10-5-20(16-25(26)28(27)34)3-4-21-2-1-13-30-17-21/h1-2,5-10,13,16-19,22H,11-12,14-15,29H2