[4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepan-1-yl]-(4-fluoranylpiperidin-1-yl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepan-1-yl]-(4-fluoranylpiperidin-1-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepan-1-yl]-(4-fluoro-1-piperidyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolinyl)-1,4-diazepan-1-yl]-(4-fluoro-1-piperidinyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxy-5-phenylquinolin-2-yl)-1,4-diazepan-1-yl]-(4-fluoropiperidin-1-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepan-1-yl]-(4-fluoropiperidino)methanone Formula: C28H34FN5O3 MolecularWeight: 507.599663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCC(CC4)F)N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCC(CC4)F)N)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H34FN5O3/c1-36-23-18-22-26(25(27(23)37-2)19-7-4-3-5-8-19)21(30)17-24(31-22)32-11-6-12-33(16-15-32)28(35)34-13-9-20(29)10-14-34/h3-5,7-8,17-18,20H,6,9-16H2,1-2H3,(H2,30,31)