3-[4-(1-adamantyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(1-adamantyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one Openeye Name: 3-[4-(1-adamantyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-chromen-2-one CAS Name: 3-[[4-(1-adamantyl)-1-piperazinyl]-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(1-adamantyl)piperazine-1-carbonyl]-8-methoxy-6-nitrochromen-2-one Traditional Name: 3-[4-(1-adamantyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-coumarin Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29N3O6/c1-33-21-11-19(28(31)32)9-18-10-20(24(30)34-22(18)21)23(29)26-2-4-27(5-3-26)25-12-15-6-16(13-25)8-17(7-15)14-25/h9-11,15-17H,2-8,12-14H2,1H3