N-[(1R)-1-(1-adamantyl)ethyl]-7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(1-adamantyl)ethyl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-N-[(1R)-1-(1-adamantyl)ethyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(1-adamantyl)ethyl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-N-[(1R)-1-(1-adamantyl)ethyl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxamide Formula: C30H39FN4O3 MolecularWeight: 522.654063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)N[C@H](C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H39FN4O3/c1-4-33-17-24(29(38)32-18(2)30-14-20-9-21(15-30)11-22(10-20)16-30)28(37)23-12-25(31)27(13-26(23)33)35-7-5-34(6-8-35)19(3)36/h12-13,17-18,20-22H,4-11,14-16H2,1-3H3,(H,32,38)/t18-,20?,21?,22?,30?/m1/s1