2-phenyl-4-[[4-(6-pyridin-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-phenyl-4-[[4-(6-pyridin-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-phenyl-4-[[4-[6-(2-pyridyl)-8-quinolyl]-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-phenyl-4-[[4-[6-(2-pyridinyl)-8-quinolinyl]-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-phenyl-4-[[4-(6-pyridin-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-phenyl-4-[[4-[6-(2-pyridyl)-8-quinolyl]-1,4-diazepan-1-yl]methyl]thiazole Formula: C29H27N5S MolecularWeight: 477.62318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C(=CC(=C2)C4=CC=CC=N4)C=CC=N3)CC5=CSC(=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C2=C3C(=CC(=C2)C4=CC=CC=N4)C=CC=N3)CC5=CSC(=N5)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5S/c1-2-8-22(9-3-1)29-32-25(21-35-29)20-33-14-7-15-34(17-16-33)27-19-24(26-11-4-5-12-30-26)18-23-10-6-13-31-28(23)27/h1-6,8-13,18-19,21H,7,14-17,20H2