N-(1-adamantyl)-4-(2-azanyl-6-phenoxy-quinolin-3-yl)-4-cyclohexyl-butanamide

Systemtic Name: N-(1-adamantyl)-4-(2-azanyl-6-phenoxy-quinolin-3-yl)-4-cyclohexyl-butanamide Openeye Name: N-(1-adamantyl)-4-(2-amino-6-phenoxy-3-quinolyl)-4-cyclohexyl-butanamide CAS Name: N-(1-adamantyl)-4-(2-amino-6-phenoxy-3-quinolinyl)-4-cyclohexylbutanamide IUPAC Name: N-(1-adamantyl)-4-(2-amino-6-phenoxyquinolin-3-yl)-4-cyclohexylbutanamide Traditional Name: N-(1-adamantyl)-4-(2-amino-6-phenoxy-3-quinolyl)-4-cyclohexyl-butyramide Formula: C35H43N3O2 MolecularWeight: 537.73482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(N=C6C=CC(=CC6=C5)OC7=CC=CC=C7)N

Isomeric SMILES

C1CCC(CC1)C(CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(N=C6C=CC(=CC6=C5)OC7=CC=CC=C7)N

InChI

InChI=1S/C35H43N3O2/c36-34-31(19-27-18-29(11-13-32(27)37-34)40-28-9-5-2-6-10-28)30(26-7-3-1-4-8-26)12-14-33(39)38-35-20-23-15-24(21-35)17-25(16-23)22-35/h2,5-6,9-11,13,18-19,23-26,30H,1,3-4,7-8,12,14-17,20-22H2,(H2,36,37)(H,38,39)